mirror of
https://github.com/triqs/dft_tools
synced 2024-12-25 05:43:40 +01:00
work on doc for gf, and details.
- little details : code cleaning, clang formatting, along with documentation writing for c++ gf. - separated the mesh in small class for better doc. - work on documentation : reorganize specialisation, ...
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@ -521,7 +521,7 @@ EXCLUDE_PATTERNS =
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# The symbol name can be a fully qualified name, a word, or if the wildcard * is used,
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# The symbol name can be a fully qualified name, a word, or if the wildcard * is used,
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# a substring. Examples: ANamespace, AClass, AClass::ANamespace, ANamespace::*Test
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# a substring. Examples: ANamespace, AClass, AClass::ANamespace, ANamespace::*Test
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EXCLUDE_SYMBOLS = *::*details::*
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EXCLUDE_SYMBOLS = *::*details::*, _aux*, *::gfs_implementation::*
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# The EXAMPLE_PATH tag can be used to specify one or more files or
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# The EXAMPLE_PATH tag can be used to specify one or more files or
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# directories that contain example code fragments that are included (see
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# directories that contain example code fragments that are included (see
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@ -19,9 +19,9 @@ TRIQS (**T**\oolbox for **R**\esearch on **I**\nteracting **Q**\uantum **S**\yst
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is a scientific project providing a set of C++ and Python libraries to develop new tools
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is a scientific project providing a set of C++ and Python libraries to develop new tools
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for the study of interacting quantum systems.
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for the study of interacting quantum systems.
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The goal of this toolkit is to provide condensed matter physicists with
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The goal of this toolkit is to provide our team with
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some high level, efficient and simple to use libraries in C++ and Python,
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some high level, efficient and simple to use libraries in C++ and Python,
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and to promote the use of modern programming techniques in our field.
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and to promote the use of modern programming techniques.
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TRIQS is free software (GPL).
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TRIQS is free software (GPL).
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@ -29,7 +29,7 @@ TRIQS applications
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-----------------------
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-----------------------
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Based on the TRIQS toolkit, several :ref:`full-fledged applications <applications>`
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Based on the TRIQS toolkit, several :ref:`full-fledged applications <applications>`
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are also maintained by the TRIQS collaboration. They allow for example to
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are also available. They allow for example to
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solve a generic quantum impurity model or to run a complete LDA+DMFT
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solve a generic quantum impurity model or to run a complete LDA+DMFT
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calculation.
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calculation.
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@ -4,28 +4,49 @@
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.. _install_on_osx_lion:
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.. _install_on_osx_lion:
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Installing required libraries on Mac OS X
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Installing required libraries on Mac OS X [EXPERIMENTAL]
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=========================================
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==============================================================
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This is an installation guide for Os X Mountain Lion.
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Disclaimer
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It may work for older
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-------------
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versions of Mac OS X but previous versions of Mac OS X are not supported.
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NB: The installation of TRIQS under previous versions of OS X requires installing clang (via Xcode).
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We provide here some instructions to install and use TRIQS on OS X.
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(On Mountain Lion, clang (llvm) replaces gcc as the default C++ compiler).
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We strongly recommend the following installation procedure, which provides a clean way to set up all dependencies, so that all
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While the installation of TRIQS itself is as straightforward as on Linux systems,
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of them are compatible with each other. Only the installation via homebrew is supported for the Mac.
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the installation of the standard scientific libraries used by TRIQS
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(mpi, hdf5, boost, fftw, ipython, ....) is not as simple as in e.g. Debian/Ubuntu,
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where they are packaged with the distribution itself (i.e. "part of the system").
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.. warning::
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This general problem of scientific computing on OS X is clearly
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illustrated by the large number of third-party attempts
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to provide "easy" installation of scientific libraries :
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brew, macports, fink, Enthought Python distribution.
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In our experience, none of this solution is perfect, nor complete or stable : they are still
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very far from the quality and stability of a Linux distribution like Debian/Ubuntu.
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It *almost* works, but at the end, there are some issues, sometimes severe,
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in the way scientific librairies are installed.
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(e.g. currently the default version of mpi and hdf5 installed by brew are in conflict :
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the simple mpi "Hello World" crashes when linked with hdf5_cpp).
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Moreover, because there is no notion of "distribution" (except in Enthought, which unfortunately is incomplete),
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the versions of the libraries are always changing e.g. in brew.
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As a result, the installation instructions may work on one day, and suddenly stop to work
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the day after.
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While this has a priori **nothing to do with TRIQS** and its applications, it clearly impacts its installation and usage.
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We are looking for a more robust solution to this OS X installation mess; **help welcome !**.
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In the following, we describe an installation procedure which worked (at least one day),
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on 10.8 and 10.9 (at least on the Mac of one of the developer !).
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Because brew evolve with time, there is no notion of distribution on Mac, like e.g. Ubuntu.
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So, while the procedure worked at some point, there can be no guarantee that it still does.
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Installation of the dependencies
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Installation of the dependencies
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--------------------------------
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--------------------------------
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We describe an installation procedure which is known to have worked at least one day,
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on 10.8 and 10.9, (at least on the Mac of one of the developer !).
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1. Install `homebrew <http://mxcl.github.io/homebrew/>`_.
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1. Install `homebrew <http://mxcl.github.io/homebrew/>`_.
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Run ``brew doctor`` and resolve potential conflicts before continuing.
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Run ``brew doctor`` and resolve potential conflicts before continuing.
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@ -33,7 +54,8 @@ Installation of the dependencies
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2. Install XCode (directly from the Mac store). In Preferences/Downloads, install "Command Line tools".
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2. Install XCode (directly from the Mac store). In Preferences/Downloads, install "Command Line tools".
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3. Install several packages which are needed: ::
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3. Install several packages which are needed: ::
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brew tap homebrew/science
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brew install cmake
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brew install cmake
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brew install gfortran
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brew install gfortran
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brew install --enable-cxx hdf5
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brew install --enable-cxx hdf5
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@ -42,11 +64,9 @@ Installation of the dependencies
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brew install open-mpi
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brew install open-mpi
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brew install zmq
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brew install zmq
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brew install python
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brew install python
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brew install doxygen
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#brew formula has been repaired, since boost installation of mpi.python is a complete mess
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#brew formula has been repaired. Temporary using our own
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#which needs to be fixed manually (except in Debian/Ubuntu where it is correct).
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#until this is back in the master.
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#When 1.55 is out, the regular brew formula should work again ...
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### brew install boost --without-single --with-mpi --with-c++11
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### brew install boost --without-single --with-mpi --with-c++11
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brew install http://ipht.cea.fr/triqs/formulas/boost.rb --without-single --with-mpi --with-c++11 -v
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brew install http://ipht.cea.fr/triqs/formulas/boost.rb --without-single --with-mpi --with-c++11 -v
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@ -69,22 +89,32 @@ Installation of the dependencies
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6. If you wish to compile the documentation locally, install sphinx, its dependencies and mathjax: ::
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6. If you wish to compile the documentation locally, install sphinx, its dependencies and mathjax: ::
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brew install doxygen
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pip install sphinx
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pip install sphinx
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easy_install pyparsing==1.5.7
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easy_install pyparsing==1.5.7
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git clone https://github.com/mathjax/MathJax.git MathJax
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git clone https://github.com/mathjax/MathJax.git MathJax
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NB : you need pyparsing <=1.5.7 since apparently v.2.0 works only for python 3.
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NB : you need pyparsing <=1.5.7 since apparently v.2.0 works only for python 3.
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7. If you wish to build the documentation locally,
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configure TRIQS with the option -DPython_use_mpi4py=ON (workaround boost.mpi.python bug).
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8. **Set up** the environment variable, e.g. in your ~/.bash_profile (workaround for issue #43) ::
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export HDF5_DEBUG="all"
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or your code will crash when launched without mpirun
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(due to a bug in hdf5 C++/ openmpi, nothing to do with TRIQS, so we can not fix it).
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Possible issues
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Possible issues
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---------------
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---------------
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If you encounter the following error: ::
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* If you encounter the following error: ::
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/usr/local/include/ft2build.h:56:38: error: freetype/config/ftheader.h: No such file or directory
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/usr/local/include/ft2build.h:56:38: error: freetype/config/ftheader.h: No such file or directory
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in the installation of matplotlib, you need to pass the proper include path. Locate the freetype directory
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in the installation of matplotlib, you need to pass the proper include path. Locate the freetype directory
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with the header file and pass the include path through ``CPPFLAGS``: ::
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with the header file and pass the include path through ``CPPFLAGS``: ::
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CPPFLAGS=-I/usr/X11/include/freetype2/ pip install git+https://github.com/matplotlib/matplotlib.git#egg=matplotlib-dev
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CPPFLAGS=-I/usr/X11/include/freetype2/ pip install git+https://github.com/matplotlib/matplotlib.git#egg=matplotlib-dev
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@ -1,10 +1,10 @@
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# Doxygen sources
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# Doxygen sources
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set_property(GLOBAL APPEND PROPERTY DOXYGEN_SOURCES
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set_property(GLOBAL APPEND PROPERTY DOXYGEN_SOURCES
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${TRIQS_SOURCE_DIR}/triqs/arrays/h5/simple_read_write.hpp
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#${TRIQS_SOURCE_DIR}/triqs/arrays/h5/simple_read_write.hpp
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${TRIQS_SOURCE_DIR}/triqs/arrays/h5/array_stack.hpp
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${TRIQS_SOURCE_DIR}/triqs/arrays/h5/array_stack.hpp
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${TRIQS_SOURCE_DIR}/triqs/h5/group.hpp
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${TRIQS_SOURCE_DIR}/triqs/h5/group.hpp
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${TRIQS_SOURCE_DIR}/triqs/arrays/array.hpp
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# ${TRIQS_SOURCE_DIR}/triqs/arrays/array.hpp
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${TRIQS_SOURCE_DIR}/triqs/arrays/matrix.hpp
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#${TRIQS_SOURCE_DIR}/triqs/arrays/matrix.hpp
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${TRIQS_SOURCE_DIR}/triqs/arrays/vector.hpp
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#${TRIQS_SOURCE_DIR}/triqs/arrays/vector.hpp
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)
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)
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@ -1,3 +1,10 @@
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# Doxygen sources
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# Doxygen sources
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set_property(GLOBAL APPEND PROPERTY DOXYGEN_SOURCES ${TRIQS_SOURCE_DIR}/triqs/gfs/gf.hpp)
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SET(TRIQS_GFS_SRC_DIR ${TRIQS_SOURCE_DIR}/triqs/gfs)
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set_property(GLOBAL APPEND PROPERTY DOXYGEN_SOURCES
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${TRIQS_GFS_SRC_DIR}/meshes/linear.hpp
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${TRIQS_GFS_SRC_DIR}/meshes/matsubara_freq.hpp
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${TRIQS_GFS_SRC_DIR}/meshes/matsubara_time.hpp
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${TRIQS_GFS_SRC_DIR}/meshes/product.hpp
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${TRIQS_GFS_SRC_DIR}/refreq.hpp
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${TRIQS_GFS_SRC_DIR}/domains/matsubara.hpp
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)
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@ -5,18 +5,17 @@
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Interaction with CLEF expressions
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Interaction with CLEF expressions
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============================================
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============================================
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* The gf containers and their view classes can be used with the :doc:`../clef/contents` library :
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The gf containers and their view classes can be used with the :doc:`../clef/contents` library :
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* They can be called with CLEF expressions.
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* They can be called with CLEF expressions.
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* :doc:`Automatic assignment<../clef/assign>` has been set up.
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* :doc:`Automatic assignment<../clef/assign>` has been set up.
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* Using the CLEF library offers a quick and efficient way to fill an array with multiple advantages :
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Using the CLEF library offers a quick and efficient way to fill an array with multiple advantages :
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* It is simpler and more readeable than a series of for loops.
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* It is simpler and more readeable than a series of for loops.
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* It is usually more optimal since the for loops are automatically written in the TraversalOrder of the array.
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* It is more optimal since the loops are automatically written in the best order for memory traversal.
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**Example** :
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* **Example** :
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.. compileblock::
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.. compileblock::
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@ -36,9 +35,6 @@ Interaction with CLEF expressions
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.. note::
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.. note::
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The syntax uses a <<, not = since the array is not assigned to an expression
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but filled by the evaluation thereof.
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The LHS uses () and not brackets, even though it is on the mesh, because of the strange C++ limitation
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The LHS uses () and not brackets, even though it is on the mesh, because of the strange C++ limitation
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that [] can not be overloaded for several variables...
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that [] can not be overloaded for several variables...
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@ -37,22 +37,21 @@ Domain
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* **Purpose** : The domain of definition of a function. It is a mathematical definition of the domain,
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* **Purpose** : The domain of definition of a function. It is a mathematical definition of the domain,
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and does not contain any mesh, or details on its representation in a computer.
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and does not contain any mesh, or details on its representation in a computer.
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* **Refines** : RegularType, BoostSerializable, H5-serializable.
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* **Refines** : RegularType.
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* **Definition** :
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* **Definition** :
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+----------------------------------------------------------------------------+---------------------------------------------------------------------+
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+----------+--------------------------------------------------------------------+
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| Elements | Comment |
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| Elements | Comment |
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+============================================================================+=====================================================================+
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+==========+====================================================================+
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| point_t | Type of element in the domain (int, int, double, k_vector, ...) as |
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| point_t | Type of element in the domain (int, int, double, k_vector, ...) as |
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| | in the call of a function over this domain. In particular, in |
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| | in the call of a function over this domain. |
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| | Matsubara, it is a complex. |
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+----------+--------------------------------------------------------------------+
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+----------------------------------------------------------------------------+---------------------------------------------------------------------+
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* **Examples** :
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* **Examples** :
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* Matsubara frequencies (boson/fermion)
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* Matsubara time
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* Matsubara time
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* Matsubara frequencies (boson/fermion) : in this case, point_t is `matsubara_freq`, a simple type containing (n, beta, statistics).
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* Real frequencies
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* Real frequencies
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* Real time
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* Real time
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* Brillouin zone
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* Brillouin zone
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@ -75,9 +74,7 @@ PureFunctionOnDomain
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+--------------------------------------+----------------------------------------------------------+
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+--------------------------------------+----------------------------------------------------------+
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| Elements | Comment |
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| Elements | Comment |
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+======================================+==========================================================+
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+======================================+==========================================================+
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| domain_t | Type of the Domain represented, modelling Domain concept |
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| domain_t const & domain() const | Returns the domain (deduced as domain_t) |
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+--------------------------------------+----------------------------------------------------------+
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| domain_t const & domain() const | Returns the domain |
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+--------------------------------------+----------------------------------------------------------+
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+--------------------------------------+----------------------------------------------------------+
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| operator (domain_t::point_t) const | Calling for all elements of the Domain (including infty |
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| operator (domain_t::point_t) const | Calling for all elements of the Domain (including infty |
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| | if it is in the domain... |
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| | if it is in the domain... |
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@ -99,38 +96,44 @@ Mesh
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It does not really need to be a mesh : e.g. if the function is represented on a polynomial basis,
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It does not really need to be a mesh : e.g. if the function is represented on a polynomial basis,
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it is the parameters of this representation (max number of coordinates, e.g.)
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it is the parameters of this representation (max number of coordinates, e.g.)
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* **Refines** : RegularType, HasConstIterator BoostSerializable, H5-serializable, Printable.
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* **Refines** : RegularType, H5-serializable, Printable.
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* **Definition** :
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* **Definition** :
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+--------------------------------------------------------------+-------------------------------------------------------------------------------+
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+-------------------------------------------------------+-------------------------------------------------------------------------------+
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| Elements | Comment |
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| Elements | Comment |
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+==============================================================+===============================================================================+
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+=======================================================+===============================================================================+
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| domain_t | Type of the Domain represented, modeling the Domain concept |
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| domain_t | Type of the Domain represented, modeling the Domain concept |
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+--------------------------------------------------------------+-------------------------------------------------------------------------------+
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+-------------------------------------------------------+-------------------------------------------------------------------------------+
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| domain_t const & domain() const | Access to the domain |
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| domain_t const & domain() const | Access to the domain |
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+--------------------------------------------------------------+-------------------------------------------------------------------------------+
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+-------------------------------------------------------+-------------------------------------------------------------------------------+
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| index_t | Type of indices of a point on the grid. Typically a tuple of long or a long |
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| index_t | Type of indices of a point on the grid. Typically a tuple of long or a long |
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+--------------------------------------------------------------+-------------------------------------------------------------------------------+
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+-------------------------------------------------------+-------------------------------------------------------------------------------+
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| size_t size() const | The number of points in the mesh. |
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| long size() const | The number of points in the mesh. |
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+--------------------------------------------------------------+-------------------------------------------------------------------------------+
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+-------------------------------------------------------+-------------------------------------------------------------------------------+
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| domain_t::point_t index_to_point(index_t) const | From the index of a mesh point, compute the corresponding point in the domain |
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| domain_t::point_t index_to_point(index_t) const | From the index of a mesh point, compute the corresponding point in the domain |
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+--------------------------------------------------------------+-------------------------------------------------------------------------------+
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+-------------------------------------------------------+-------------------------------------------------------------------------------+
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| size_t index_to_linear(index_t const &) const | Flattening the index of the mesh into a contiguous linear index |
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| long index_to_linear(index_t const &) const | Flattening the index of the mesh into a contiguous linear index |
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+--------------------------------------------------------------+-------------------------------------------------------------------------------+
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+-------------------------------------------------------+-------------------------------------------------------------------------------+
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| mesh_point_t | A type modelling MeshPoint concept (see below). |
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| mesh_point_t | A type modeling MeshPoint concept (see below). |
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+--------------------------------------------------------------+-------------------------------------------------------------------------------+
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+-------------------------------------------------------+-------------------------------------------------------------------------------+
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| mesh_point_t operator[](index_t const & index ) const | From an index, return a mesh_point_t containing this a ref to this mesh and |
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| mesh_point_t operator[](index_t const & index ) const | From an index, return a mesh_point_t containing this a ref to this mesh and |
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| | the index. |
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| | the index. |
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+--------------------------------------------------------------+-------------------------------------------------------------------------------+
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+-------------------------------------------------------+-------------------------------------------------------------------------------+
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| free function | |
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| mesh_pt_generator<mesh_t> const_iterator | A generator of all the mesh points. |
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| foreach ( mesh_t, lambda) | ??????????????????????????????????? |
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+-------------------------------------------------------+-------------------------------------------------------------------------------+
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+--------------------------------------------------------------+-------------------------------------------------------------------------------+
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| const_iterator begin()/end() const | Standard access to iterator on the mesh Standard access to iterator on the |
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| mesh_pt_generator<mesh_t> iterator | A generator of all the mesh points. |
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| cbegin()/cend() const | mesh |
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+--------------------------------------------------------------+-------------------------------------------------------------------------------+
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+-------------------------------------------------------+-------------------------------------------------------------------------------+
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| const_iterator begin()/end() const | Standard access to iterator on the mesh |
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| const_iterator cbegin()/cend() const | Standard access to iterator on the mesh |
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+--------------------------------------------------------------+-------------------------------------------------------------------------------+
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+---------------------------+-----------------------------------------------------------+
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| Free functions | Comment |
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+===========================+===========================================================+
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| void foreach (mesh_t, F) | If F is a function of synopsis |
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| | auto F( mesh_t::mesh_point_t) |
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| | it calls F for each point on the mesh, in arbitrary order |
|
||||||
|
+---------------------------+-----------------------------------------------------------+
|
||||||
|
|
||||||
.. _Concept_MeshPoint:
|
.. _Concept_MeshPoint:
|
||||||
|
|
||||||
@ -193,4 +196,3 @@ one can write naturally ::
|
|||||||
// In this expression, w is casted to the domain_t::point_t, here a complex<double>
|
// In this expression, w is casted to the domain_t::point_t, here a complex<double>
|
||||||
// which allows to evaluate the function
|
// which allows to evaluate the function
|
||||||
|
|
||||||
|
|
||||||
|
@ -3,7 +3,7 @@
|
|||||||
Green functions
|
Green functions
|
||||||
=================
|
=================
|
||||||
|
|
||||||
The TRIQS library provides a generic container `gf` and its view `gf_view`, to store and manipulate
|
The TRIQS library provides a generic container `gf` and its views `gf_view` and `gf_const_view`, to store and manipulate
|
||||||
various Green functions.
|
various Green functions.
|
||||||
|
|
||||||
.. warning::
|
.. warning::
|
||||||
@ -15,11 +15,11 @@ various Green functions.
|
|||||||
|
|
||||||
intro
|
intro
|
||||||
gf_and_view
|
gf_and_view
|
||||||
gf_part_eval_curry
|
gf_special
|
||||||
slicing
|
clef
|
||||||
concepts
|
|
||||||
meshes
|
|
||||||
tail
|
tail
|
||||||
fourier
|
fourier
|
||||||
gf_misc
|
concepts
|
||||||
implementation_notes
|
implementation_notes
|
||||||
|
|
||||||
|
|
||||||
|
@ -6,22 +6,64 @@ Fourier transforms
|
|||||||
The Fourier transforms from real and imaginary frequencies to times, and inverse, are currently implemented,
|
The Fourier transforms from real and imaginary frequencies to times, and inverse, are currently implemented,
|
||||||
along with the analogous transformation from the Legendre expansion to imaginary time and frequencies.
|
along with the analogous transformation from the Legendre expansion to imaginary time and frequencies.
|
||||||
|
|
||||||
Synopsis and example
|
Synopsis
|
||||||
======================
|
=========
|
||||||
|
|
||||||
**Synopsis** ::
|
**Synopsis** ::
|
||||||
|
|
||||||
lazy_object fourier (gf<imfreq,Target,Opt> const &)
|
auto fourier (gf<imfreq,Target,Opt> const &)
|
||||||
lazy_object fourier (gf_const_view<imfreq,Target,Opt> const &)
|
auto fourier (gf_view<imfreq,Target,Opt> const &)
|
||||||
|
auto fourier (gf_const_view<imfreq,Target,Opt> const &)
|
||||||
|
|
||||||
lazy_object inverse_fourier (gf<imfreq,Target,Opt> const &)
|
auto inverse_fourier (gf<imfreq,Target,Opt> const &)
|
||||||
lazy_object inverse_fourier (gf_const_view<imfreq,Target,Opt> const &)
|
auto inverse_fourier (gf_view<imfreq,Target,Opt> const &)
|
||||||
|
auto inverse_fourier (gf_const_view<imfreq,Target,Opt> const &)
|
||||||
|
|
||||||
|
gf<imfreq, Target, Opt> make_gf_from_fourier(gf<imtime, Target, Opt> const&);
|
||||||
|
gf<imfreq, Target, Opt> make_gf_from_fourier(gf_view<imtime, Target, Opt> const&);
|
||||||
|
gf<imfreq, Target, Opt> make_gf_from_fourier(gf_const_view<imtime, Target, Opt> const&);
|
||||||
|
|
||||||
|
gf<imtime, Target, Opt> make_gf_from_inverse_fourier(gf<imfreq, Target, Opt> const&);
|
||||||
|
gf<imtime, Target, Opt> make_gf_from_inverse_fourier(gf_view<imfreq, Target, Opt> const&);
|
||||||
|
gf<imtime, Target, Opt> make_gf_from_inverse_fourier(gf_const_view<imfreq, Target, Opt> const&);
|
||||||
|
|
||||||
|
|
||||||
|
**fourier, inverse_fourier**
|
||||||
|
|
||||||
The fourier/inverse_fourier functions do **not** perform the Fourier transformation,
|
The fourier/inverse_fourier functions do **not** perform the Fourier transformation,
|
||||||
but returns a small lazy object (basically saying "Fourier Transform of XXX"),
|
but returns a small lazy object (basically saying "Fourier Transform of XXX"),
|
||||||
which is then used in an assignment of a *view* of a gf.
|
which is then used in an assignment of a *view* of a gf.
|
||||||
|
|
||||||
|
The reason is the following: when putting e.g. a Fourier transform of a function in time, say gt,
|
||||||
|
into a Green function in frequencies, say gw, we want to say something like::
|
||||||
|
|
||||||
|
gw = fourier(gt); // ??? (1)
|
||||||
|
|
||||||
|
However, if the fourier function performs the transformation, how could it know the details
|
||||||
|
of the mesh of gw ? That information is not available when calling *fourier*.
|
||||||
|
|
||||||
|
Since *fourier* returns a small lazy object, the library can then rewrite (1) internally into something like ::
|
||||||
|
|
||||||
|
call_the_fourier_implementation(gt, gw);
|
||||||
|
|
||||||
|
where all the information about the mesh of gw is now available to the implementation.
|
||||||
|
|
||||||
|
Moreover, since fourier(gt) does not possess a domain (for the same reason), (1)
|
||||||
|
makes no sense : RHS of gf assignment requires a domain (cf concepts).
|
||||||
|
We therefore use *a view* as LHS::
|
||||||
|
|
||||||
|
gw() = fourier(gt); // correct usage.
|
||||||
|
|
||||||
|
**make_gf_from_fourier, make_gf_from_inverse_fourier**
|
||||||
|
|
||||||
|
In the case where we want to create a *new* container from the fourier transform of gt,
|
||||||
|
we can use the function make_gf_from_fourier, in which choice is explicitly made to generate a new gf with the same number of points in the mesh.
|
||||||
|
(Cf example below).
|
||||||
|
|
||||||
|
DOC TO BE FINISHED.
|
||||||
|
|
||||||
Example
|
Example
|
||||||
|
=========
|
||||||
|
|
||||||
.. compileblock::
|
.. compileblock::
|
||||||
|
|
||||||
@ -36,21 +78,14 @@ Example
|
|||||||
triqs::clef::placeholder<0> om_;
|
triqs::clef::placeholder<0> om_;
|
||||||
gw (om_) << 1/(om_-a);
|
gw (om_) << 1/(om_-a);
|
||||||
|
|
||||||
gt() = inverse_fourier(gw); // fills the *View* with the contents of the FFT.
|
// fills a full *view* of gt with the contents of the FFT
|
||||||
// NB : the mesh must have the same size.
|
// NB : the mesh of gt *must* have the same size as the mesh of gw.
|
||||||
|
gt() = inverse_fourier(gw);
|
||||||
|
|
||||||
// make a new fresh gf, with the same size mesh, from the FFT of gt
|
// make a new fresh gf, with the same size mesh, from the FFT of gt
|
||||||
auto gw2 = make_gf_from_fourier(gt);
|
auto gw2 = make_gf_from_fourier(gt);
|
||||||
}
|
}
|
||||||
|
|
||||||
Note that :
|
|
||||||
|
|
||||||
* the LHS of the = must be a view, since the RHS can not compute the domain of the function
|
|
||||||
(how many points to use ?).
|
|
||||||
|
|
||||||
* In the make_gf_from_fourier function, choice is explicitly made to generate a new gf with the same number of points in the mesh.
|
|
||||||
|
|
||||||
|
|
||||||
Convention
|
Convention
|
||||||
===========
|
===========
|
||||||
|
|
||||||
@ -69,7 +104,7 @@ For Matsubara (imaginary) time/frequency:
|
|||||||
The :math:`\omega_n`'s are :math:`\frac{(2n+1)\pi}{\beta}` for fermions, :math:`\frac{2n\pi}{\beta}` for bosons (as :math:`G(\tau+\beta)=-G(\tau)` for fermions, :math:`G(\tau)` for bosons).
|
The :math:`\omega_n`'s are :math:`\frac{(2n+1)\pi}{\beta}` for fermions, :math:`\frac{2n\pi}{\beta}` for bosons (as :math:`G(\tau+\beta)=-G(\tau)` for fermions, :math:`G(\tau)` for bosons).
|
||||||
|
|
||||||
|
|
||||||
*
|
|
||||||
.. toctree::
|
.. toctree::
|
||||||
|
|
||||||
:maxdepth: 1
|
:maxdepth: 1
|
||||||
|
@ -2,8 +2,8 @@
|
|||||||
|
|
||||||
.. _gf_and_view:
|
.. _gf_and_view:
|
||||||
|
|
||||||
gf and gf_view
|
gf and views
|
||||||
=================
|
==============
|
||||||
|
|
||||||
**Synopsis**:
|
**Synopsis**:
|
||||||
|
|
||||||
@ -30,6 +30,9 @@ Template parameters
|
|||||||
| Opt | void | option_t | Currently unused |
|
| Opt | void | option_t | Currently unused |
|
||||||
+-----------------------------------------+-------------------------------+-------------------------------+--------------------------------------+
|
+-----------------------------------------+-------------------------------+-------------------------------+--------------------------------------+
|
||||||
|
|
||||||
|
|
||||||
|
The various specializations of the container and its views are decribed in in the :ref:`specializations<gf_special>` page.
|
||||||
|
|
||||||
The *Variable* template parameter can take the following values :
|
The *Variable* template parameter can take the following values :
|
||||||
|
|
||||||
+--------------------------+--------------------------------------------+
|
+--------------------------+--------------------------------------------+
|
||||||
@ -62,39 +65,6 @@ The *Target* template parameter can take the following values :
|
|||||||
| tensor_valued<R> | The function is tensor valued with rank |
|
| tensor_valued<R> | The function is tensor valued with rank |
|
||||||
+-------------------------+-----------------------------------------------------+
|
+-------------------------+-----------------------------------------------------+
|
||||||
|
|
||||||
.. _gf_special:
|
|
||||||
|
|
||||||
Specializations
|
|
||||||
-------------------
|
|
||||||
|
|
||||||
+-------------------------+-------------------------------+-------------------------------+---------------------------+
|
|
||||||
| Variable/Target | matrix_valued | scalar_valued | gf_valued |
|
|
||||||
+=========================+===============================+===============================+===========================+
|
|
||||||
| imfreq | :doc:`gf_imfreq` | :doc:`gf_imfreq_s` | |
|
|
||||||
+-------------------------+-------------------------------+-------------------------------+---------------------------+
|
|
||||||
| imtime | :doc:`gf_imtime` | :doc:`gf_imtime_s` | |
|
|
||||||
+-------------------------+-------------------------------+-------------------------------+---------------------------+
|
|
||||||
| refreq | :doc:`gf_refreq` | :doc:`gf_refreq_s` | |
|
|
||||||
+-------------------------+-------------------------------+-------------------------------+---------------------------+
|
|
||||||
| retime | :doc:`gf_retime` | :doc:`gf_retime_s` | |
|
|
||||||
+-------------------------+-------------------------------+-------------------------------+---------------------------+
|
|
||||||
| block_index | | | :doc:`block_gf<gf_block>` |
|
|
||||||
+-------------------------+-------------------------------+-------------------------------+---------------------------+
|
|
||||||
| cartesian_product<M...> | :doc:`gf_product<gf_product>` | :doc:`gf_product<gf_product>` | |
|
|
||||||
+-------------------------+-------------------------------+-------------------------------+---------------------------+
|
|
||||||
|
|
||||||
.. toctree::
|
|
||||||
:hidden:
|
|
||||||
:maxdepth: 1
|
|
||||||
|
|
||||||
gf_imfreq
|
|
||||||
gf_imfreq_s
|
|
||||||
gf_refreq
|
|
||||||
gf_imtime
|
|
||||||
gf_retime
|
|
||||||
gf_block
|
|
||||||
gf_product
|
|
||||||
|
|
||||||
|
|
||||||
Member types
|
Member types
|
||||||
--------------------------------------
|
--------------------------------------
|
||||||
@ -165,13 +135,15 @@ Non-member functions
|
|||||||
------------------------
|
------------------------
|
||||||
|
|
||||||
|
|
||||||
+---------------------------------+-------------------------------------------+
|
+----------------------------------------------------------------------+------------------------------------------------------------+
|
||||||
| Member function | Meaning |
|
| Member function | Meaning |
|
||||||
+=================================+===========================================+
|
+======================================================================+============================================================+
|
||||||
| :ref:`swap<gf_swap>` | Swap of 2 containers |
|
| :ref:`swap<gf_swap>` | Swap of 2 containers |
|
||||||
+---------------------------------+-------------------------------------------+
|
+----------------------------------------------------------------------+------------------------------------------------------------+
|
||||||
| :ref:`operator\<\<<gf_stream>` | Writing to stream |
|
| :ref:`operator\<\<<gf_stream>` | Writing to stream |
|
||||||
+---------------------------------+-------------------------------------------+
|
+----------------------------------------------------------------------+------------------------------------------------------------+
|
||||||
|
| :ref:`reinterpret_scalar_valued_gf_as_matrix_valued<gf_reinterpret>` | Reinterpret a scalar_valued gf as a 1x1 matrix_valued view |
|
||||||
|
+----------------------------------------------------------------------+------------------------------------------------------------+
|
||||||
|
|
||||||
|
|
||||||
.. toctree::
|
.. toctree::
|
||||||
@ -180,16 +152,5 @@ Non-member functions
|
|||||||
stream
|
stream
|
||||||
swap
|
swap
|
||||||
|
|
||||||
Interaction with CLEF expressions
|
|
||||||
-------------------------------------
|
|
||||||
|
|
||||||
The gf containers and their view classes can be :doc:`used with the CLEF Library <clef>`.
|
|
||||||
|
|
||||||
.. toctree::
|
|
||||||
:hidden:
|
|
||||||
|
|
||||||
clef
|
|
||||||
|
|
||||||
|
|
||||||
|
|
||||||
|
|
||||||
|
@ -2,15 +2,15 @@
|
|||||||
|
|
||||||
.. _gf_block:
|
.. _gf_block:
|
||||||
|
|
||||||
block_gf<G> (alias of gf<block_index, G>)
|
Block Green functions
|
||||||
===================================================
|
=======================
|
||||||
|
|
||||||
This is a specialisation of :ref:`gf_and_view` for block functions.
|
This is a specialisation of :ref:`gf_and_view` for block functions.
|
||||||
|
|
||||||
A block Green function is nothing but Green function on a discrete domain representing the
|
A block Green function is nothing but Green function on a discrete domain representing the
|
||||||
block indices, and whose value is a Green function itself.
|
block indices, and whose value is itself a Green function.
|
||||||
|
|
||||||
For convenience, for following aliases are provided ::
|
For convenience, the following aliases are provided ::
|
||||||
|
|
||||||
template<typename ... T> using block_gf = gf <block_index, gf<T...>>;
|
template<typename ... T> using block_gf = gf <block_index, gf<T...>>;
|
||||||
template<typename ... T> using block_gf_view = gf_view <block_index, gf<T...>>;
|
template<typename ... T> using block_gf_view = gf_view <block_index, gf<T...>>;
|
||||||
|
@ -2,39 +2,81 @@
|
|||||||
|
|
||||||
.. _gf_imfreq:
|
.. _gf_imfreq:
|
||||||
|
|
||||||
gf<imfreq>
|
Matsubara frequencies
|
||||||
==========================================================
|
==========================================================
|
||||||
|
|
||||||
|
This is a specialisation of :ref:`gf<gf_and_view>` for imaginary Matsubara frequencies.
|
||||||
|
|
||||||
This is a specialisation of :ref:`gf_and_view` for imaginary Matsubara frequencies.
|
Synopsis
|
||||||
|
------------
|
||||||
|
|
||||||
|
.. code::
|
||||||
|
|
||||||
|
gf<imfreq, Target, Opt>
|
||||||
|
|
||||||
|
The *Target* template parameter can take the following values :
|
||||||
|
|
||||||
|
+-------------------------+-----------------------------------------------------+
|
||||||
|
| Target | Meaning |
|
||||||
|
+=========================+=====================================================+
|
||||||
|
| scalar_valued | The function is scalar valued (double, complex...). |
|
||||||
|
+-------------------------+-----------------------------------------------------+
|
||||||
|
| matrix_valued [default] | The function is matrix valued. |
|
||||||
|
+-------------------------+-----------------------------------------------------+
|
||||||
|
|
||||||
Domain & mesh
|
Domain & mesh
|
||||||
----------------
|
----------------
|
||||||
|
|
||||||
|
The domain is :doxy:`matsubara_freq_domain<triqs::gfs::matsubara_domain>`.
|
||||||
|
|
||||||
|
The Matsubara frequencies are :math:`\omega_n=\frac{(2n+1)\pi}{\beta}` for fermions and :math:`\omega_n=\frac{2n\pi}{\beta}` for bosons.
|
||||||
|
|
||||||
|
The mesh is :doxy:`matsubara_freq_mesh<triqs::gfs::matsubara_freq_mesh>`.
|
||||||
|
|
||||||
|
|
||||||
Singularity
|
Singularity
|
||||||
-------------
|
-------------
|
||||||
|
|
||||||
:ref:`gf_tail`.
|
The singularity is a high frequency expansion, :ref:`gf_tail`.
|
||||||
|
|
||||||
|
|
||||||
Interpolation method
|
Evaluation method
|
||||||
---------------------
|
---------------------
|
||||||
|
|
||||||
None
|
* No interpolation.
|
||||||
|
|
||||||
|
* Return type :
|
||||||
|
|
||||||
|
* If Target==scalar_valued : a complex
|
||||||
|
* If Target==matrix_valued : an object modeling ImmutableMatrix concept.
|
||||||
|
|
||||||
|
* When the point is outside of the mesh, the evaluation of the gf returns :
|
||||||
|
|
||||||
|
* the evaluation of the high frequency tail if no_tail is not set.
|
||||||
|
* 0 otherwise
|
||||||
|
|
||||||
|
|
||||||
Data storage
|
Data storage
|
||||||
---------------
|
---------------
|
||||||
|
|
||||||
* `data_t` : 3d array (C ordered) of complex<double>.
|
* If Target==scalar_valued :
|
||||||
|
|
||||||
|
* `data_t` : 1d array of complex<double>.
|
||||||
|
|
||||||
* g.data()(i, range(), range()) is the value of g for the i-th point of the mesh.
|
* g.data()(i) is the value of g for the i-th point of the mesh.
|
||||||
|
|
||||||
|
* If Target==matrix_valued :
|
||||||
|
|
||||||
|
* `data_t` : 3d array (C ordered) of complex<double>.
|
||||||
|
|
||||||
|
* g.data()(i, range(), range()) is the value of g for the i-th point of the mesh.
|
||||||
|
|
||||||
HDF5 storage convention
|
HDF5 storage convention
|
||||||
---------------------------
|
---------------------------
|
||||||
|
|
||||||
h5 tag : `ImFreq`
|
h5 tag : `ImFreq`
|
||||||
|
|
||||||
|
TODO : DECIDE if we have 2 tag, one for scalar, one for matrix....
|
||||||
|
|
||||||
Examples
|
Examples
|
||||||
---------
|
---------
|
||||||
@ -43,25 +85,37 @@ Examples
|
|||||||
.. compileblock::
|
.. compileblock::
|
||||||
|
|
||||||
#include <triqs/gfs.hpp>
|
#include <triqs/gfs.hpp>
|
||||||
using namespace triqs::gfs; using triqs::clef::placeholder;
|
using namespace triqs::gfs;
|
||||||
int main(){
|
int main(){
|
||||||
double beta=10;
|
double beta=10;
|
||||||
int Nfreq =100;
|
int Nfreq =100;
|
||||||
|
|
||||||
|
// --- first a matrix_valued function ------------
|
||||||
|
|
||||||
// First give information to build the mesh, second to build the target
|
// First give information to build the mesh, second to build the target
|
||||||
auto GF1 = gf<imfreq> { {beta,Fermion,Nfreq}, {1,1} };
|
auto g1 = gf<imfreq> { {beta,Fermion,Nfreq}, {1,1} };
|
||||||
// or a more verbose/explicit form ...
|
// or a more verbose/explicit form ...
|
||||||
auto GF2 = gf<imfreq> { gf_mesh<imfreq>{beta,Fermion,Nfreq}, make_shape(1,1) };
|
auto g2 = gf<imfreq> { gf_mesh<imfreq>{beta,Fermion,Nfreq}, make_shape(1,1) };
|
||||||
|
|
||||||
// Filling the gf with something...
|
// Filling the gf with something...
|
||||||
placeholder<0> wn_;
|
triqs::clef::placeholder<0> wn_;
|
||||||
GF1(wn_) << 1/ (wn_ + 2);
|
g1(wn_) << 1/ (wn_ + 2);
|
||||||
|
|
||||||
// evaluation at n=3
|
// evaluation at n=3
|
||||||
std::cout << GF1(3) << " == "<< 1/ ( 1_j * std::acos(-1) / beta * (2*3+1) + 2) << std::endl;
|
std::cout << g1(3) << " == "<< 1/ ( 1_j * M_PI / beta * (2*3+1) + 2) << std::endl;
|
||||||
// the high frequency expansion was automatically computed.
|
// the high frequency expansion was automatically computed.
|
||||||
std::cout << GF1.singularity() << std::endl;
|
//std::cout << g1.singularity() << std::endl; // a bit verbose..
|
||||||
|
|
||||||
|
// --- a scalar_valued function ------------
|
||||||
|
|
||||||
|
// same a before, but without the same of the target space ...
|
||||||
|
auto g3 = gf<imfreq,scalar_valued> { {beta,Fermion,Nfreq} };
|
||||||
|
auto g4 = gf<imfreq,scalar_valued> { gf_mesh<imfreq>{beta,Fermion,Nfreq} };
|
||||||
|
|
||||||
|
g3(wn_) << 1/ (wn_ + 2);
|
||||||
|
|
||||||
|
// evaluation at n=3.
|
||||||
|
std::cout << g3(3) << " == "<< 1/ ( 1_j * std::acos(-1) / beta * (2*3+1) + 2) << std::endl;
|
||||||
}
|
}
|
||||||
|
|
||||||
|
|
||||||
|
|
||||||
|
@ -1,66 +0,0 @@
|
|||||||
.. highlight:: c
|
|
||||||
|
|
||||||
.. _gf_imfreq_s:
|
|
||||||
|
|
||||||
gf<imfreq, scalar_valued>
|
|
||||||
==========================================================
|
|
||||||
|
|
||||||
This is a specialisation of :ref:`gf_and_view` for imaginary Matsubara frequencies.
|
|
||||||
|
|
||||||
Domain & mesh
|
|
||||||
----------------
|
|
||||||
|
|
||||||
|
|
||||||
Singularity
|
|
||||||
-------------
|
|
||||||
|
|
||||||
:ref:`gf_tail`.
|
|
||||||
|
|
||||||
|
|
||||||
Interpolation method
|
|
||||||
---------------------
|
|
||||||
|
|
||||||
None
|
|
||||||
|
|
||||||
Data storage
|
|
||||||
---------------
|
|
||||||
|
|
||||||
* `data_t` : 1d array (C ordered) of complex<double>.
|
|
||||||
|
|
||||||
* g.data()(i) is the value of g for the i-th point of the mesh.
|
|
||||||
|
|
||||||
HDF5 storage convention
|
|
||||||
---------------------------
|
|
||||||
|
|
||||||
h5 tag : `ImFreq_s`
|
|
||||||
|
|
||||||
|
|
||||||
Examples
|
|
||||||
---------
|
|
||||||
|
|
||||||
|
|
||||||
.. compileblock::
|
|
||||||
|
|
||||||
#include <triqs/gfs.hpp>
|
|
||||||
using namespace triqs::gfs; using triqs::clef::placeholder;
|
|
||||||
int main(){
|
|
||||||
double beta=10;
|
|
||||||
int Nfreq =100;
|
|
||||||
|
|
||||||
// First give information to build the mesh, second to build the target
|
|
||||||
auto GF1 = gf<imfreq,scalar_valued> { {beta,Fermion,Nfreq} };
|
|
||||||
// or a more verbose/explicit form ...
|
|
||||||
auto GF2 = gf<imfreq,scalar_valued> { gf_mesh<imfreq>{beta,Fermion,Nfreq} };
|
|
||||||
|
|
||||||
// Filling the gf with something...
|
|
||||||
placeholder<0> wn_;
|
|
||||||
GF1(wn_) << 1/ (wn_ + 2);
|
|
||||||
|
|
||||||
// evaluation at n=3
|
|
||||||
std::cout << GF1(3) << " == "<< 1/ ( 1_j * std::acos(-1) / beta * (2*3+1) + 2) << std::endl;
|
|
||||||
// the high frequency expansion was automatically computed.
|
|
||||||
std::cout << GF1.singularity() << std::endl;
|
|
||||||
}
|
|
||||||
|
|
||||||
|
|
||||||
|
|
@ -2,29 +2,81 @@
|
|||||||
|
|
||||||
.. _gf_imtime:
|
.. _gf_imtime:
|
||||||
|
|
||||||
gf<imtime>
|
Matsubara imaginary time
|
||||||
===================================================
|
==========================================================
|
||||||
|
|
||||||
This is a specialisation of :ref:`gf_and_view` for imaginary Matsubara time.
|
This is a specialisation of :ref:`gf<gf_and_view>` for imaginary Matsubara time.
|
||||||
|
|
||||||
|
Synopsis
|
||||||
|
------------
|
||||||
|
|
||||||
|
.. code::
|
||||||
|
|
||||||
|
gf<imtime, Target, Opt>
|
||||||
|
|
||||||
|
The *Target* template parameter can take the following values :
|
||||||
|
|
||||||
|
+-------------------------+-----------------------------------------------------+
|
||||||
|
| Target | Meaning |
|
||||||
|
+=========================+=====================================================+
|
||||||
|
| scalar_valued | The function is scalar valued (double, complex...). |
|
||||||
|
+-------------------------+-----------------------------------------------------+
|
||||||
|
| matrix_valued [default] | The function is matrix valued. |
|
||||||
|
+-------------------------+-----------------------------------------------------+
|
||||||
|
|
||||||
Domain & mesh
|
Domain & mesh
|
||||||
----------------
|
----------------
|
||||||
|
|
||||||
|
The domain is the set of real numbers between 0 and :math:`\beta`
|
||||||
|
since the function is periodic (resp. antiperiodic) for bosons (resp. fermions), i.e.
|
||||||
|
|
||||||
|
* :math:`G(\tau+\beta)=-G(\tau)` for fermions
|
||||||
|
* :math:`G(\tau+\beta)=G(\tau)` for bosons.
|
||||||
|
|
||||||
|
The domain is implemented in the class :doxy:`matsubara_time_domain<triqs::gfs::matsubara_domain>`.
|
||||||
|
|
||||||
|
The mesh is :doxy:`matsubara_time_mesh<triqs::gfs::matsubara_time_mesh>`.
|
||||||
|
|
||||||
|
|
||||||
Singularity
|
Singularity
|
||||||
-------------
|
-------------
|
||||||
|
|
||||||
Interpolation method
|
The singularity is a high frequency expansion, :ref:`gf_tail`.
|
||||||
|
|
||||||
|
|
||||||
|
Evaluation method
|
||||||
---------------------
|
---------------------
|
||||||
|
|
||||||
None.
|
* Use a linear interpolation between the two closest point of the mesh.
|
||||||
|
|
||||||
|
* Return type :
|
||||||
|
|
||||||
|
* If Target==scalar_valued : a complex
|
||||||
|
* If Target==matrix_valued : an object modeling ImmutableMatrix concept.
|
||||||
|
|
||||||
|
* When the point is outside of the mesh, the evaluation of the gf returns :
|
||||||
|
|
||||||
|
* the evaluation of the high frequency tail if no_tail is not set.
|
||||||
|
* 0 otherwise
|
||||||
|
|
||||||
|
|
||||||
Data storage
|
Data storage
|
||||||
---------------
|
---------------
|
||||||
|
|
||||||
* `data_t` : 3d array (C ordered) of complex<double>.
|
* If Target==scalar_valued :
|
||||||
|
|
||||||
|
* `data_t` : 1d array of complex<double>.
|
||||||
|
|
||||||
* g.data()(i, range(), range()) is the value of g for the i-th point of the mesh.
|
* g.data()(i) is the value of g for the i-th point of the mesh.
|
||||||
|
|
||||||
|
* If Target==matrix_valued :
|
||||||
|
|
||||||
|
* `data_t` : 3d array (C ordered) of complex<double>.
|
||||||
|
|
||||||
|
* g.data()(i, range(), range()) is the value of g for the i-th point of the mesh.
|
||||||
|
|
||||||
|
|
||||||
|
TO DO : complex OR DOUBLE : FIX and document !!
|
||||||
|
|
||||||
HDF5 storage convention
|
HDF5 storage convention
|
||||||
---------------------------
|
---------------------------
|
||||||
@ -38,24 +90,38 @@ Examples
|
|||||||
.. compileblock::
|
.. compileblock::
|
||||||
|
|
||||||
#include <triqs/gfs.hpp>
|
#include <triqs/gfs.hpp>
|
||||||
using namespace triqs::gfs; using triqs::clef::placeholder;
|
using namespace triqs::gfs;
|
||||||
int main(){
|
int main(){
|
||||||
double beta=10, a = 1;
|
double beta=10, a = 1;
|
||||||
int n_times=5;
|
int n_times=1000;
|
||||||
|
|
||||||
|
// --- first a matrix_valued function ------------
|
||||||
|
|
||||||
// First give information to build the mesh, second to build the target
|
// First give information to build the mesh, second to build the target
|
||||||
auto GF1 = gf<imtime> { {beta,Fermion,n_times}, {1,1} };
|
auto g1 = gf<imtime, matrix_valued, no_tail> { {beta,Fermion,n_times}, {1,1} };
|
||||||
|
|
||||||
// or a more verbose/explicit form ...
|
// or a more verbose/explicit form ...
|
||||||
auto GF2 = gf<imtime> { gf_mesh<imtime>{beta,Fermion,n_times}, make_shape(1,1) };
|
auto g2 = gf<imtime> { gf_mesh<imtime>{beta,Fermion,n_times}, make_shape(1,1) };
|
||||||
|
|
||||||
// Filling the gf with something...
|
|
||||||
placeholder<0> tau_;
|
|
||||||
//GF1(tau_) << exp ( - a * tau_) / (1 + exp(- beta * a));
|
|
||||||
|
|
||||||
// evaluation at n=3
|
// Filling the gf with something... COMMENT HERE : ok only because of no_tail
|
||||||
std::cout << make_matrix(GF1(3)) << " == "<< exp ( - a * 3) / (1 + exp(- beta * a)) << std::endl;
|
triqs::clef::placeholder<0> tau_;
|
||||||
|
g1(tau_) << exp ( - a * tau_) / (1 + exp(- beta * a));
|
||||||
|
|
||||||
|
// evaluation at tau=3.2
|
||||||
|
std::cout << triqs::arrays::make_matrix(g1(3.2)) << " == "<< exp ( - a * 3.2) / (1 + exp(- beta * a)) << std::endl;
|
||||||
|
|
||||||
|
// --- a scalar_valued function ------------
|
||||||
|
|
||||||
|
// same a before, but without the same of the target space ...
|
||||||
|
auto g3 = gf<imtime, scalar_valued, no_tail> { {beta,Fermion,n_times} };
|
||||||
|
|
||||||
|
g3(tau_) << exp ( - a * tau_) / (1 + exp(- beta * a));
|
||||||
|
|
||||||
|
// evaluation at tau=3.2
|
||||||
|
std::cout << g3(3.2) << " == "<< exp ( - a * 3.2) / (1 + exp(- beta * a)) << std::endl;
|
||||||
}
|
}
|
||||||
|
|
||||||
|
|
||||||
|
|
||||||
|
|
||||||
|
|
||||||
|
66
doc/reference/c++/gf/gf_legendre.rst
Normal file
66
doc/reference/c++/gf/gf_legendre.rst
Normal file
@ -0,0 +1,66 @@
|
|||||||
|
.. highlight:: c
|
||||||
|
|
||||||
|
.. _gf_legendre:
|
||||||
|
|
||||||
|
Legendre representation
|
||||||
|
==========================================================
|
||||||
|
|
||||||
|
This is a specialisation of :ref:`gf<gf_and_view>` for Legendre polynomial expansion.
|
||||||
|
|
||||||
|
Synopsis
|
||||||
|
------------
|
||||||
|
|
||||||
|
.. code::
|
||||||
|
|
||||||
|
gf<legendre, Target, Opt>
|
||||||
|
|
||||||
|
The *Target* template parameter can take the following values :
|
||||||
|
|
||||||
|
+-------------------------+-----------------------------------------------------+
|
||||||
|
| Target | Meaning |
|
||||||
|
+=========================+=====================================================+
|
||||||
|
| scalar_valued | The function is scalar valued (double, complex...). |
|
||||||
|
+-------------------------+-----------------------------------------------------+
|
||||||
|
| matrix_valued [default] | The function is matrix valued. |
|
||||||
|
+-------------------------+-----------------------------------------------------+
|
||||||
|
|
||||||
|
Domain & mesh
|
||||||
|
----------------
|
||||||
|
|
||||||
|
TO BE WRITTEN
|
||||||
|
|
||||||
|
Singularity
|
||||||
|
-------------
|
||||||
|
|
||||||
|
None
|
||||||
|
|
||||||
|
|
||||||
|
Evaluation method
|
||||||
|
---------------------
|
||||||
|
|
||||||
|
TO BE WRITTEN
|
||||||
|
|
||||||
|
Data storage
|
||||||
|
---------------
|
||||||
|
|
||||||
|
TO BE WRITTEN
|
||||||
|
|
||||||
|
HDF5 storage convention
|
||||||
|
---------------------------
|
||||||
|
|
||||||
|
h5 tag : `Legendre`
|
||||||
|
|
||||||
|
Examples
|
||||||
|
---------
|
||||||
|
|
||||||
|
.. compileblock::
|
||||||
|
|
||||||
|
#include <triqs/gfs.hpp>
|
||||||
|
using namespace triqs::gfs;
|
||||||
|
|
||||||
|
int main() {
|
||||||
|
// We want a 2x2 matrix valued function on this mesh...
|
||||||
|
//auto g = gf<legendre> { {wmin, wmax, n_freq}, {2,2} };
|
||||||
|
};
|
||||||
|
|
||||||
|
|
@ -2,8 +2,8 @@
|
|||||||
|
|
||||||
.. _gf_product:
|
.. _gf_product:
|
||||||
|
|
||||||
Green functions on cartesian product domains
|
Multiple variables
|
||||||
===================================================
|
===================
|
||||||
|
|
||||||
.. warning::
|
.. warning::
|
||||||
|
|
||||||
@ -41,7 +41,18 @@ HDF5 storage convention
|
|||||||
For convenience, in hdf5 files, the arrays has higher dimension,
|
For convenience, in hdf5 files, the arrays has higher dimension,
|
||||||
so that the first indices are *not* flatten. EXPLAIN.
|
so that the first indices are *not* flatten. EXPLAIN.
|
||||||
|
|
||||||
|
Functional techniques
|
||||||
|
------------------------
|
||||||
|
|
||||||
|
See :
|
||||||
|
|
||||||
|
.. toctree::
|
||||||
|
|
||||||
|
:maxdepth: 1
|
||||||
|
|
||||||
|
gf_part_eval_curry
|
||||||
|
|
||||||
|
|
||||||
Examples
|
Examples
|
||||||
---------
|
---------
|
||||||
.. compileblock::
|
.. compileblock::
|
||||||
@ -76,14 +87,5 @@ Examples
|
|||||||
}
|
}
|
||||||
|
|
||||||
|
|
||||||
See also :
|
|
||||||
|
|
||||||
.. toctree::
|
|
||||||
|
|
||||||
:maxdepth: 1
|
|
||||||
|
|
||||||
gf_part_eval_curry
|
|
||||||
|
|
||||||
|
|
||||||
|
|
||||||
|
|
||||||
|
@ -2,29 +2,75 @@
|
|||||||
|
|
||||||
.. _gf_refreq:
|
.. _gf_refreq:
|
||||||
|
|
||||||
gf<refreq>
|
Real frequencies
|
||||||
===================================================
|
==========================================================
|
||||||
|
|
||||||
This is a specialisation of :ref:`gf_and_view` for imaginary Matsubara frequencies.
|
This is a specialisation of :ref:`gf<gf_and_view>` for real frequencies.
|
||||||
|
|
||||||
|
|
||||||
|
Synopsis
|
||||||
|
------------
|
||||||
|
|
||||||
|
.. code::
|
||||||
|
|
||||||
|
gf<refreq, Target, Opt>
|
||||||
|
|
||||||
|
The *Target* template parameter can take the following values :
|
||||||
|
|
||||||
|
+-------------------------+-----------------------------------------------------+
|
||||||
|
| Target | Meaning |
|
||||||
|
+=========================+=====================================================+
|
||||||
|
| scalar_valued | The function is scalar valued (double, complex...). |
|
||||||
|
+-------------------------+-----------------------------------------------------+
|
||||||
|
| matrix_valued [default] | The function is matrix valued. |
|
||||||
|
+-------------------------+-----------------------------------------------------+
|
||||||
|
|
||||||
Domain & mesh
|
Domain & mesh
|
||||||
----------------
|
----------------
|
||||||
|
|
||||||
|
CORRECT THIS !! PUT OUT THE C++ impl for doxy doc
|
||||||
|
|
||||||
|
The domain is :doxy:`matsubara_freq_domain<triqs::gfs::matsubara_domain>`.
|
||||||
|
|
||||||
|
The mesh is :doxy:`matsubara_freq_mesh<triqs::gfs::matsubara_freq_mesh>`.
|
||||||
|
|
||||||
|
|
||||||
Singularity
|
Singularity
|
||||||
-------------
|
-------------
|
||||||
|
|
||||||
Interpolation method
|
The singularity is a high frequency expansion, :ref:`gf_tail`.
|
||||||
|
|
||||||
|
|
||||||
|
Evaluation method
|
||||||
---------------------
|
---------------------
|
||||||
|
|
||||||
Linear interpolation on the mesh.
|
* Linear interpolation on the mesh.
|
||||||
|
|
||||||
|
* Return type :
|
||||||
|
|
||||||
|
* If Target==scalar_valued : a complex
|
||||||
|
* If Target==matrix_valued : an object modeling ImmutableMatrix concept.
|
||||||
|
|
||||||
|
* When the point is outside of the mesh, the evaluation of the gf returns :
|
||||||
|
|
||||||
|
* the evaluation of the high frequency tail if no_tail is not set.
|
||||||
|
* 0 otherwise
|
||||||
|
|
||||||
|
|
||||||
Data storage
|
Data storage
|
||||||
---------------
|
---------------
|
||||||
|
|
||||||
* `data_t` : 3d array (C ordered) of complex<double>.
|
* If Target==scalar_valued :
|
||||||
|
|
||||||
|
* `data_t` : 1d array of complex<double>.
|
||||||
|
|
||||||
* g.data()(i, range(), range()) is the value of g for the i-th point of the mesh.
|
* g.data()(i) is the value of g for the i-th point of the mesh.
|
||||||
|
|
||||||
|
* If Target==matrix_valued :
|
||||||
|
|
||||||
|
* `data_t` : 3d array (C ordered) of complex<double>.
|
||||||
|
|
||||||
|
* g.data()(i, range(), range()) is the value of g for the i-th point of the mesh.
|
||||||
|
|
||||||
HDF5 storage convention
|
HDF5 storage convention
|
||||||
---------------------------
|
---------------------------
|
||||||
@ -36,7 +82,7 @@ Examples
|
|||||||
|
|
||||||
.. compileblock::
|
.. compileblock::
|
||||||
|
|
||||||
#include <triqs/gfs/refreq.hpp>
|
#include <triqs/gfs.hpp>
|
||||||
using namespace triqs::gfs;
|
using namespace triqs::gfs;
|
||||||
|
|
||||||
int main() {
|
int main() {
|
||||||
|
24
doc/reference/c++/gf/gf_reinterpret.rst
Normal file
24
doc/reference/c++/gf/gf_reinterpret.rst
Normal file
@ -0,0 +1,24 @@
|
|||||||
|
.. highlight:: c
|
||||||
|
|
||||||
|
.. _gf_reinterpret:
|
||||||
|
|
||||||
|
Target reinterpretation
|
||||||
|
=========================
|
||||||
|
|
||||||
|
**Synopsis** ::
|
||||||
|
|
||||||
|
gf_view<Variable, matrix_valued, Opt>
|
||||||
|
reinterpret_scalar_valued_gf_as_matrix_valued(gf_view<Variable, scalar_valued, Opt>);
|
||||||
|
|
||||||
|
gf_view<Variable, matrix_valued, Opt>
|
||||||
|
reinterpret_scalar_valued_gf_as_matrix_valued(gf<Variable, scalar_valued, Opt> &);
|
||||||
|
|
||||||
|
gf_const view<Variable, matrix_valued, Opt>
|
||||||
|
reinterpret_scalar_valued_gf_as_matrix_valued(gf_const_view<Variable, scalar_valued, Opt>);
|
||||||
|
|
||||||
|
gf_const_view<Variable, matrix_valued, Opt>
|
||||||
|
reinterpret_scalar_valued_gf_as_matrix_valued(gf<Variable, scalar_valued, Opt> const &);
|
||||||
|
|
||||||
|
|
||||||
|
Given a gf or a view, scalar_valued, it returns a view of a 1x1 matrix_valued function on the same data.
|
||||||
|
|
@ -2,29 +2,76 @@
|
|||||||
|
|
||||||
.. _gf_retime:
|
.. _gf_retime:
|
||||||
|
|
||||||
gf<retime>
|
Real time
|
||||||
===================================================
|
===================================================
|
||||||
|
|
||||||
This is a specialisation of :ref:`gf_and_view` for imaginary Matsubara frequencies.
|
This is a specialisation of :ref:`gf_and_view` for imaginary Matsubara frequencies.
|
||||||
|
|
||||||
|
|
||||||
|
|
||||||
|
Synopsis
|
||||||
|
------------
|
||||||
|
|
||||||
|
.. code::
|
||||||
|
|
||||||
|
gf<retime, Target, Opt>
|
||||||
|
|
||||||
|
The *Target* template parameter can take the following values :
|
||||||
|
|
||||||
|
+-------------------------+-----------------------------------------------------+
|
||||||
|
| Target | Meaning |
|
||||||
|
+=========================+=====================================================+
|
||||||
|
| scalar_valued | The function is scalar valued (double, complex...). |
|
||||||
|
+-------------------------+-----------------------------------------------------+
|
||||||
|
| matrix_valued [default] | The function is matrix valued. |
|
||||||
|
+-------------------------+-----------------------------------------------------+
|
||||||
|
|
||||||
Domain & mesh
|
Domain & mesh
|
||||||
----------------
|
----------------
|
||||||
|
|
||||||
|
CORRECT THIS !! PUT OUT THE C++ impl for doxy doc
|
||||||
|
|
||||||
|
The domain is :doxy:`matsubara_freq_domain<triqs::gfs::matsubara_domain>`.
|
||||||
|
|
||||||
|
The mesh is :doxy:`matsubara_freq_mesh<triqs::gfs::matsubara_freq_mesh>`.
|
||||||
|
|
||||||
|
|
||||||
Singularity
|
Singularity
|
||||||
-------------
|
-------------
|
||||||
|
|
||||||
Interpolation method
|
The singularity is a high frequency expansion, :ref:`gf_tail`.
|
||||||
|
|
||||||
|
|
||||||
|
Evaluation method
|
||||||
---------------------
|
---------------------
|
||||||
|
|
||||||
Linear interpolation on the mesh.
|
* Linear interpolation on the mesh.
|
||||||
|
|
||||||
|
* Return type :
|
||||||
|
|
||||||
|
* If Target==scalar_valued : a complex
|
||||||
|
* If Target==matrix_valued : an object modeling ImmutableMatrix concept.
|
||||||
|
|
||||||
|
* When the point is outside of the mesh, the evaluation of the gf returns :
|
||||||
|
|
||||||
|
* the evaluation of the high frequency tail if no_tail is not set.
|
||||||
|
* 0 otherwise
|
||||||
|
|
||||||
|
|
||||||
Data storage
|
Data storage
|
||||||
---------------
|
---------------
|
||||||
|
|
||||||
* `data_t` : 3d array (C ordered) of complex<double>.
|
* If Target==scalar_valued :
|
||||||
|
|
||||||
|
* `data_t` : 1d array of complex<double>.
|
||||||
|
|
||||||
* g.data()(i, range(), range()) is the value of g for the i-th point of the mesh.
|
* g.data()(i) is the value of g for the i-th point of the mesh.
|
||||||
|
|
||||||
|
* If Target==matrix_valued :
|
||||||
|
|
||||||
|
* `data_t` : 3d array (C ordered) of complex<double>.
|
||||||
|
|
||||||
|
* g.data()(i, range(), range()) is the value of g for the i-th point of the mesh.
|
||||||
|
|
||||||
HDF5 storage convention
|
HDF5 storage convention
|
||||||
---------------------------
|
---------------------------
|
||||||
@ -36,7 +83,7 @@ Examples
|
|||||||
|
|
||||||
.. compileblock::
|
.. compileblock::
|
||||||
|
|
||||||
#include <triqs/gfs/retime.hpp>
|
#include <triqs/gfs.hpp>
|
||||||
using namespace triqs::gfs;
|
using namespace triqs::gfs;
|
||||||
|
|
||||||
int main() {
|
int main() {
|
||||||
|
21
doc/reference/c++/gf/gf_special.rst
Normal file
21
doc/reference/c++/gf/gf_special.rst
Normal file
@ -0,0 +1,21 @@
|
|||||||
|
.. _gf_special:
|
||||||
|
|
||||||
|
Specializations
|
||||||
|
-------------------
|
||||||
|
|
||||||
|
In this section, we describe the various specializations of the generic container *gf*.
|
||||||
|
We concentrate only on specific properties, since every specialization has the members and functions described
|
||||||
|
for :ref:`gf container<gf_and_view:>`.
|
||||||
|
|
||||||
|
.. toctree::
|
||||||
|
:maxdepth: 1
|
||||||
|
|
||||||
|
gf_imfreq
|
||||||
|
gf_imtime
|
||||||
|
gf_refreq
|
||||||
|
gf_retime
|
||||||
|
gf_block
|
||||||
|
gf_legendre
|
||||||
|
gf_product
|
||||||
|
|
||||||
|
|
@ -1,9 +1,10 @@
|
|||||||
.. highlight:: c
|
.. highlight:: c
|
||||||
|
|
||||||
|
Domains & Meshes
|
||||||
|
##################
|
||||||
|
|
||||||
|
|
||||||
Meshes
|
The :doxy:`full C++ documentation<triqs::gfs::matsubara_freq_mesh>` is available here.
|
||||||
#######
|
|
||||||
|
|
||||||
|
|
||||||
The linear meshes
|
The linear meshes
|
||||||
@ -100,23 +101,6 @@ The domain is the set of real numbers.
|
|||||||
By default, the mesh kind is ``full_bins``.
|
By default, the mesh kind is ``full_bins``.
|
||||||
|
|
||||||
|
|
||||||
Matsubara time
|
|
||||||
---------------
|
|
||||||
|
|
||||||
The domain is (approximatively) the set of real numbers between 0 and :math:`\beta`.
|
|
||||||
In fact, other points are also in the domain, but the values at these points are given by the values on this restricted domain.
|
|
||||||
:math:`G(\tau+\beta)=-G(\tau)` for fermions, :math:`G(\tau+\beta)=G(\tau)` for bosons.
|
|
||||||
|
|
||||||
The limits from above or below at these both points can be different.
|
|
||||||
Depending on what one needs, we can choose ``full_bins``, ``half_bins`` or ``without_last``.
|
|
||||||
|
|
||||||
|
|
||||||
Matsubara frequency
|
|
||||||
--------------------
|
|
||||||
|
|
||||||
The domain is discrete. The Matsubara frequencies are :math:`\omega_n=\frac{(2n+1)\pi}{\beta}` for fermions and :math:`\omega_n=\frac{2n\pi}{\beta}` for bosons.
|
|
||||||
|
|
||||||
|
|
||||||
|
|
||||||
Products of meshes
|
Products of meshes
|
||||||
===================
|
===================
|
@ -27,9 +27,7 @@
|
|||||||
namespace triqs {
|
namespace triqs {
|
||||||
namespace arrays {
|
namespace arrays {
|
||||||
|
|
||||||
/**
|
/// The implementation class
|
||||||
* The implementation class
|
|
||||||
*/
|
|
||||||
template <typename T, int R> class array_stack_impl {
|
template <typename T, int R> class array_stack_impl {
|
||||||
static const size_t dim = R;
|
static const size_t dim = R;
|
||||||
static const bool base_is_array = dim > 0;
|
static const bool base_is_array = dim > 0;
|
||||||
|
@ -25,6 +25,7 @@
|
|||||||
#include "../retime.hpp"
|
#include "../retime.hpp"
|
||||||
#include "../imtime.hpp"
|
#include "../imtime.hpp"
|
||||||
#include "../meshes/product.hpp"
|
#include "../meshes/product.hpp"
|
||||||
|
#include "./tool.hpp"
|
||||||
|
|
||||||
namespace triqs { namespace gfs {
|
namespace triqs { namespace gfs {
|
||||||
|
|
||||||
|
43
triqs/gfs/deprecated/tool.hpp
Normal file
43
triqs/gfs/deprecated/tool.hpp
Normal file
@ -0,0 +1,43 @@
|
|||||||
|
/*******************************************************************************
|
||||||
|
*
|
||||||
|
* TRIQS: a Toolbox for Research in Interacting Quantum Systems
|
||||||
|
*
|
||||||
|
* Copyright (C) 2012 by M. Ferrero, O. Parcollet
|
||||||
|
*
|
||||||
|
* TRIQS is free software: you can redistribute it and/or modify it under the
|
||||||
|
* terms of the GNU General Public License as published by the Free Software
|
||||||
|
* Foundation, either version 3 of the License, or (at your option) any later
|
||||||
|
* version.
|
||||||
|
*
|
||||||
|
* TRIQS is distributed in the hope that it will be useful, but WITHOUT ANY
|
||||||
|
* WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS
|
||||||
|
* FOR A PARTICULAR PURPOSE. See the GNU General Public License for more
|
||||||
|
* details.
|
||||||
|
*
|
||||||
|
* You should have received a copy of the GNU General Public License along with
|
||||||
|
* TRIQS. If not, see <http://www.gnu.org/licenses/>.
|
||||||
|
*
|
||||||
|
******************************************************************************/
|
||||||
|
#pragma once
|
||||||
|
#include "../gf.hpp"
|
||||||
|
|
||||||
|
namespace triqs { namespace gfs {
|
||||||
|
|
||||||
|
// make_gf and make_gf_view forward any args to them
|
||||||
|
template <typename Variable, typename Target = matrix_valued, typename Opt = void, typename... U>
|
||||||
|
gf<Variable, Target, Opt> make_gf(gf_mesh<Variable, Opt> m, U &&... x) {
|
||||||
|
return gfs_implementation::factories<Variable, Target, Opt>::make_gf(std::move(m), std::forward<U>(x)...);
|
||||||
|
}
|
||||||
|
|
||||||
|
template <typename Variable, typename Target = matrix_valued, typename Opt = void, typename... U>
|
||||||
|
gf<Variable, Target, Opt> make_gf(U &&... x) {
|
||||||
|
return gfs_implementation::factories<Variable, Target, Opt>::make_gf(std::forward<U>(x)...);
|
||||||
|
}
|
||||||
|
|
||||||
|
template <typename Variable, typename Target = matrix_valued, typename Opt = void, typename... U>
|
||||||
|
gf_view<Variable, Target, Opt> make_gf_view(U &&... x) {
|
||||||
|
return gfs_implementation::factories<Variable, Target, Opt>::make_gf_view(std::forward<U>(x)...);
|
||||||
|
}
|
||||||
|
|
||||||
|
}}
|
||||||
|
|
@ -24,6 +24,7 @@
|
|||||||
#include "../gf.hpp"
|
#include "../gf.hpp"
|
||||||
#include "../retime.hpp"
|
#include "../retime.hpp"
|
||||||
#include "../meshes/product.hpp"
|
#include "../meshes/product.hpp"
|
||||||
|
#include "./tool.hpp"
|
||||||
|
|
||||||
namespace triqs { namespace gfs {
|
namespace triqs { namespace gfs {
|
||||||
|
|
||||||
|
@ -18,23 +18,22 @@
|
|||||||
* TRIQS. If not, see <http://www.gnu.org/licenses/>.
|
* TRIQS. If not, see <http://www.gnu.org/licenses/>.
|
||||||
*
|
*
|
||||||
******************************************************************************/
|
******************************************************************************/
|
||||||
#ifndef TRIQS_GF_DOMAIN_R_H
|
#pragma once
|
||||||
#define TRIQS_GF_DOMAIN_R_H
|
|
||||||
#include "../tools.hpp"
|
#include "../tools.hpp"
|
||||||
|
|
||||||
namespace triqs { namespace gfs {
|
namespace triqs {
|
||||||
|
namespace gfs {
|
||||||
|
|
||||||
/// The domain
|
/// The domain
|
||||||
struct R_domain {
|
struct R_domain {
|
||||||
typedef double point_t;
|
using point_t = double;
|
||||||
bool operator == (R_domain const & D) const { return true; }
|
bool operator==(R_domain const& D) const { return true; }
|
||||||
friend void h5_write (h5::group fg, std::string subgroup_name, R_domain const & d) {}
|
friend void h5_write(h5::group fg, std::string subgroup_name, R_domain const& d) {}
|
||||||
friend void h5_read (h5::group fg, std::string subgroup_name, R_domain & d){ }
|
friend void h5_read(h5::group fg, std::string subgroup_name, R_domain& d) {}
|
||||||
friend class boost::serialization::access;
|
friend class boost::serialization::access;
|
||||||
template<class Archive> void serialize(Archive & ar, const unsigned int version) {}
|
template <class Archive> void serialize(Archive& ar, const unsigned int version) {}
|
||||||
};
|
};
|
||||||
|
}
|
||||||
}}
|
}
|
||||||
#endif
|
|
||||||
|
|
||||||
|
|
||||||
|
@ -1,4 +1,3 @@
|
|||||||
|
|
||||||
/*******************************************************************************
|
/*******************************************************************************
|
||||||
*
|
*
|
||||||
* TRIQS: a Toolbox for Research in Interacting Quantum Systems
|
* TRIQS: a Toolbox for Research in Interacting Quantum Systems
|
||||||
@ -19,61 +18,67 @@
|
|||||||
* TRIQS. If not, see <http://www.gnu.org/licenses/>.
|
* TRIQS. If not, see <http://www.gnu.org/licenses/>.
|
||||||
*
|
*
|
||||||
******************************************************************************/
|
******************************************************************************/
|
||||||
#ifndef TRIQS_GF_DISCRETE_DOMAIN_H
|
#pragma once
|
||||||
#define TRIQS_GF_DISCRETE_DOMAIN_H
|
|
||||||
#include "../tools.hpp"
|
#include "../tools.hpp"
|
||||||
#include <map>
|
#include <map>
|
||||||
namespace triqs { namespace gfs {
|
namespace triqs {
|
||||||
|
namespace gfs {
|
||||||
|
|
||||||
/// The domain
|
|
||||||
class discrete_domain {
|
class discrete_domain {
|
||||||
size_t Nmax;
|
int Nmax;
|
||||||
std::vector<std::string> _names;// name of the points (e.g. for block)
|
std::vector<std::string> _names; // optional name of the points (e.g. for block)
|
||||||
std::map<std::string,int> _inv_names;
|
std::map<std::string, int> _inv_names; // table inverting the previous vector
|
||||||
void init_inv() {
|
void init_inv() {
|
||||||
for (size_t i =0; i<Nmax; ++i) { _inv_names[_names[i]]=i;}
|
int i = 0;
|
||||||
}
|
for (auto const& x : _names) _inv_names[x] = i++;
|
||||||
|
}
|
||||||
|
|
||||||
public:
|
public:
|
||||||
typedef long point_t;
|
using point_t = int;
|
||||||
size_t size() const { return Nmax;};
|
int size() const {
|
||||||
discrete_domain (size_t Nmax_=1) : Nmax(Nmax_) {
|
return Nmax;
|
||||||
for (size_t i =0; i<Nmax; ++i) { std::stringstream fs; fs<<i; _names.push_back(fs.str());}
|
};
|
||||||
|
discrete_domain(int Nmax_ = 1) : Nmax(Nmax_) {
|
||||||
|
for (int i = 0; i < Nmax; ++i) {
|
||||||
|
std::stringstream fs;
|
||||||
|
fs << i;
|
||||||
|
_names.push_back(fs.str());
|
||||||
|
}
|
||||||
init_inv();
|
init_inv();
|
||||||
}
|
}
|
||||||
|
|
||||||
discrete_domain (std::vector<std::string> && Names) : Nmax(Names.size()), _names(Names) {init_inv(); }
|
discrete_domain(std::vector<std::string> Names) : Nmax(Names.size()), _names(std::move(Names)) { init_inv(); }
|
||||||
discrete_domain (std::vector<std::string> const & Names) : Nmax(Names.size()), _names(Names) { init_inv();}
|
discrete_domain(std::initializer_list<std::string> const& Names) : Nmax(Names.size()), _names(Names) { init_inv(); }
|
||||||
discrete_domain (std::initializer_list<std::string> const & Names) : Nmax(Names.size()), _names(Names) { init_inv();}
|
|
||||||
|
|
||||||
std::vector<std::string> const & names() const { return _names;}
|
std::vector<std::string> const& names() const { return _names; }
|
||||||
int index_from_name(std::string const & s) const { return _inv_names.at(s);}
|
int index_from_name(std::string const& s) const { return _inv_names.at(s); }
|
||||||
|
|
||||||
bool operator == (discrete_domain const & D) const { return (Nmax == D.Nmax);}
|
bool operator==(discrete_domain const& D) const { return (Nmax == D.Nmax); }
|
||||||
|
|
||||||
/// Write into HDF5
|
/// Write into HDF5
|
||||||
friend void h5_write (h5::group fg, std::string subgroup_name, discrete_domain const & d) {
|
friend void h5_write(h5::group fg, std::string subgroup_name, discrete_domain const& d) {
|
||||||
h5::group gr = fg.create_group(subgroup_name);
|
h5::group gr = fg.create_group(subgroup_name);
|
||||||
h5_write(gr,"n_max",d.Nmax);
|
h5_write(gr, "n_max", d.Nmax);
|
||||||
|
// THE NAME ARE MISSING
|
||||||
}
|
}
|
||||||
|
|
||||||
/// Read from HDF5
|
/// Read from HDF5
|
||||||
friend void h5_read (h5::group fg, std::string subgroup_name, discrete_domain & d){
|
friend void h5_read(h5::group fg, std::string subgroup_name, discrete_domain& d) {
|
||||||
h5::group gr = fg.open_group(subgroup_name);
|
h5::group gr = fg.open_group(subgroup_name);
|
||||||
long n;
|
int n;
|
||||||
h5_read(gr,"n_max",n);
|
h5_read(gr, "n_max", n);
|
||||||
d = discrete_domain(n);
|
d = discrete_domain(n);
|
||||||
|
// NAME ARE MISSING
|
||||||
}
|
}
|
||||||
|
|
||||||
// BOOST Serialization
|
// BOOST Serialization
|
||||||
friend class boost::serialization::access;
|
friend class boost::serialization::access;
|
||||||
template<class Archive>
|
template <class Archive> void serialize(Archive& ar, const unsigned int version) {
|
||||||
void serialize(Archive & ar, const unsigned int version) {
|
ar& boost::serialization::make_nvp("n_max", Nmax);
|
||||||
ar & boost::serialization::make_nvp("n_max",Nmax);
|
ar& boost::serialization::make_nvp("names", _names);
|
||||||
ar & boost::serialization::make_nvp("names",_names);
|
ar& boost::serialization::make_nvp("names_inv", _inv_names);
|
||||||
}
|
}
|
||||||
|
|
||||||
};
|
};
|
||||||
|
}
|
||||||
}}
|
}
|
||||||
#endif
|
|
||||||
|
|
||||||
|
@ -1,4 +1,3 @@
|
|||||||
|
|
||||||
/*******************************************************************************
|
/*******************************************************************************
|
||||||
*
|
*
|
||||||
* TRIQS: a Toolbox for Research in Interacting Quantum Systems
|
* TRIQS: a Toolbox for Research in Interacting Quantum Systems
|
||||||
@ -19,60 +18,59 @@
|
|||||||
* TRIQS. If not, see <http://www.gnu.org/licenses/>.
|
* TRIQS. If not, see <http://www.gnu.org/licenses/>.
|
||||||
*
|
*
|
||||||
******************************************************************************/
|
******************************************************************************/
|
||||||
#ifndef TRIQS_GF_LEGENDRE_DOMAIN_H
|
#pragma once
|
||||||
#define TRIQS_GF_LEGENDRE_DOMAIN_H
|
|
||||||
|
|
||||||
#include "../tools.hpp"
|
#include "../tools.hpp"
|
||||||
|
|
||||||
namespace triqs { namespace gfs {
|
namespace triqs {
|
||||||
|
namespace gfs {
|
||||||
|
|
||||||
/// The domain
|
|
||||||
class legendre_domain {
|
class legendre_domain {
|
||||||
|
|
||||||
public:
|
public:
|
||||||
|
|
||||||
double beta;
|
double beta;
|
||||||
statistic_enum statistic;
|
statistic_enum statistic;
|
||||||
size_t Nmax;
|
size_t Nmax;
|
||||||
|
|
||||||
typedef long point_t;
|
using point_t = long;
|
||||||
size_t size() const { return Nmax;};
|
size_t size() const {
|
||||||
|
return Nmax;
|
||||||
|
};
|
||||||
|
|
||||||
legendre_domain (double beta_ = 1, statistic_enum stat_ = Fermion, size_t Nmax_=1) : beta(beta_), statistic(stat_), Nmax(Nmax_) {}
|
legendre_domain(double beta_ = 1, statistic_enum stat_ = Fermion, size_t Nmax_ = 1)
|
||||||
|
: beta(beta_), statistic(stat_), Nmax(Nmax_) {}
|
||||||
|
|
||||||
bool operator == (legendre_domain const & D) const {
|
bool operator==(legendre_domain const& D) const {
|
||||||
return ((std::abs(beta - D.beta)<1.e-15) && (statistic == D.statistic) && (Nmax == D.Nmax));
|
return ((std::abs(beta - D.beta) < 1.e-15) && (statistic == D.statistic) && (Nmax == D.Nmax));
|
||||||
}
|
}
|
||||||
|
|
||||||
/// Write into HDF5
|
/// Write into HDF5
|
||||||
friend void h5_write (h5::group fg, std::string subgroup_name, legendre_domain const & d) {
|
friend void h5_write(h5::group fg, std::string subgroup_name, legendre_domain const& d) {
|
||||||
h5::group gr = fg.create_group(subgroup_name);
|
h5::group gr = fg.create_group(subgroup_name);
|
||||||
h5_write(gr,"n_max",d.Nmax);
|
h5_write(gr, "n_max", d.Nmax);
|
||||||
h5_write(gr,"beta",d.beta);
|
h5_write(gr, "beta", d.beta);
|
||||||
h5_write(gr,"statistic",(d.statistic==Fermion ? "F" : "B"));
|
h5_write(gr, "statistic", (d.statistic == Fermion ? "F" : "B"));
|
||||||
}
|
}
|
||||||
|
|
||||||
/// Read from HDF5
|
/// Read from HDF5
|
||||||
friend void h5_read (h5::group fg, std::string subgroup_name, legendre_domain & d){
|
friend void h5_read(h5::group fg, std::string subgroup_name, legendre_domain& d) {
|
||||||
h5::group gr = fg.open_group(subgroup_name);
|
h5::group gr = fg.open_group(subgroup_name);
|
||||||
long n; double beta; std::string statistic;
|
long n;
|
||||||
h5_read(gr,"n_max",n);
|
double beta;
|
||||||
h5_read(gr,"beta",beta);
|
std::string statistic;
|
||||||
h5_read(gr,"statistic",statistic);
|
h5_read(gr, "n_max", n);
|
||||||
d = legendre_domain(beta,(statistic=="F" ? Fermion : Boson),n);
|
h5_read(gr, "beta", beta);
|
||||||
|
h5_read(gr, "statistic", statistic);
|
||||||
|
d = legendre_domain(beta, (statistic == "F" ? Fermion : Boson), n);
|
||||||
}
|
}
|
||||||
|
|
||||||
// BOOST Serialization
|
// BOOST Serialization
|
||||||
friend class boost::serialization::access;
|
friend class boost::serialization::access;
|
||||||
template<class Archive>
|
template <class Archive> void serialize(Archive& ar, const unsigned int version) {
|
||||||
void serialize(Archive & ar, const unsigned int version) {
|
ar& boost::serialization::make_nvp("n_max", Nmax);
|
||||||
ar & boost::serialization::make_nvp("n_max",Nmax);
|
ar& boost::serialization::make_nvp("beta", beta);
|
||||||
ar & boost::serialization::make_nvp("beta",beta);
|
ar& boost::serialization::make_nvp("statistic", statistic);
|
||||||
ar & boost::serialization::make_nvp("statistic",statistic);
|
|
||||||
}
|
}
|
||||||
|
|
||||||
};
|
};
|
||||||
|
}
|
||||||
}}
|
}
|
||||||
#endif
|
|
||||||
|
|
||||||
|
@ -18,26 +18,33 @@
|
|||||||
* TRIQS. If not, see <http://www.gnu.org/licenses/>.
|
* TRIQS. If not, see <http://www.gnu.org/licenses/>.
|
||||||
*
|
*
|
||||||
******************************************************************************/
|
******************************************************************************/
|
||||||
#ifndef TRIQS_GF_DOMAIN_MATSUBARA_H
|
#pragma once
|
||||||
#define TRIQS_GF_DOMAIN_MATSUBARA_H
|
|
||||||
#include "../tools.hpp"
|
#include "../tools.hpp"
|
||||||
#include <triqs/utility/arithmetic_ops_by_cast.hpp>
|
#include <triqs/utility/arithmetic_ops_by_cast.hpp>
|
||||||
|
|
||||||
namespace triqs {
|
namespace triqs {
|
||||||
namespace gfs {
|
namespace gfs {
|
||||||
|
|
||||||
// --------------- One matsubara frequency, with its arithmetics -------------------------
|
/**
|
||||||
// all operations are done by casting to complex, except addition and substraction of matsubara_freq
|
* A matsubara frequency, i.e.
|
||||||
|
* * n : int, the index
|
||||||
|
* * beta : double, the temperature inverse
|
||||||
|
* * statistic : Fermion or Boson
|
||||||
|
*
|
||||||
|
* * Can be casted into a complex.
|
||||||
|
*
|
||||||
|
* * Every operations is done by casting to complex, except addition and substraction of matsubara_freq, which return matsubara_freq
|
||||||
|
* and work on the index
|
||||||
|
**/
|
||||||
struct matsubara_freq : public utility::arithmetic_ops_by_cast_disable_same_type<matsubara_freq, std::complex<double>> {
|
struct matsubara_freq : public utility::arithmetic_ops_by_cast_disable_same_type<matsubara_freq, std::complex<double>> {
|
||||||
int n;
|
int n;
|
||||||
double beta;
|
double beta;
|
||||||
statistic_enum statistic;
|
statistic_enum statistic;
|
||||||
matsubara_freq() : n(0), beta(1), statistic(Fermion) {}
|
matsubara_freq() : n(0), beta(1), statistic(Fermion) {}
|
||||||
matsubara_freq(int const &n_, double beta_, statistic_enum stat_) : n(n_), beta(beta_), statistic(stat_) {}
|
matsubara_freq(int n_, double beta_, statistic_enum stat_) : n(n_), beta(beta_), statistic(stat_) {}
|
||||||
using cast_t = std::complex<double>;
|
using cast_t = std::complex<double>;
|
||||||
operator cast_t() const {
|
operator cast_t() const {
|
||||||
return {0, M_PI * (2 * n + (statistic == Fermion ? 1 : 0)) / beta};
|
return {0, M_PI * (2 * n + statistic) / beta};
|
||||||
}
|
}
|
||||||
};
|
};
|
||||||
|
|
||||||
@ -50,7 +57,7 @@ namespace gfs {
|
|||||||
}
|
}
|
||||||
|
|
||||||
inline matsubara_freq operator-(matsubara_freq const &mp) {
|
inline matsubara_freq operator-(matsubara_freq const &mp) {
|
||||||
return {-(mp.n + mp.statistic==Fermion ? 1: 0), mp.beta, mp.statistic};
|
return {-(mp.n + mp.statistic == Fermion ? 1 : 0), mp.beta, mp.statistic};
|
||||||
}
|
}
|
||||||
|
|
||||||
//---------------------------------------------------------------------------------------------------------
|
//---------------------------------------------------------------------------------------------------------
|
||||||
@ -59,12 +66,12 @@ namespace gfs {
|
|||||||
using point_t = typename std::conditional<IsFreq, std::complex<double>, double>::type;
|
using point_t = typename std::conditional<IsFreq, std::complex<double>, double>::type;
|
||||||
double beta;
|
double beta;
|
||||||
statistic_enum statistic;
|
statistic_enum statistic;
|
||||||
matsubara_domain() = default;
|
matsubara_domain(double beta, statistic_enum s) : beta(beta), statistic(s) {
|
||||||
matsubara_domain(double Beta, statistic_enum s) : beta(Beta), statistic(s) {
|
|
||||||
if (beta < 0) TRIQS_RUNTIME_ERROR << "Matsubara domain construction : beta <0 : beta =" << beta << "\n";
|
if (beta < 0) TRIQS_RUNTIME_ERROR << "Matsubara domain construction : beta <0 : beta =" << beta << "\n";
|
||||||
}
|
}
|
||||||
|
matsubara_domain() : matsubara_domain(1, Fermion) {}
|
||||||
matsubara_domain(matsubara_domain const &) = default;
|
matsubara_domain(matsubara_domain const &) = default;
|
||||||
matsubara_domain(matsubara_domain<!IsFreq> const &x) : beta(x.beta), statistic(x.statistic) {}
|
matsubara_domain(matsubara_domain<!IsFreq> const &x) : matsubara_domain(x.beta, x.statistic) {}
|
||||||
bool operator==(matsubara_domain const &D) const { return ((std::abs(beta - D.beta) < 1.e-15) && (statistic == D.statistic)); }
|
bool operator==(matsubara_domain const &D) const { return ((std::abs(beta - D.beta) < 1.e-15) && (statistic == D.statistic)); }
|
||||||
|
|
||||||
/// Write into HDF5
|
/// Write into HDF5
|
||||||
@ -91,7 +98,9 @@ namespace gfs {
|
|||||||
ar &boost::serialization::make_nvp("statistic", statistic);
|
ar &boost::serialization::make_nvp("statistic", statistic);
|
||||||
}
|
}
|
||||||
};
|
};
|
||||||
}
|
|
||||||
}
|
using matsubara_freq_domain = matsubara_domain<true>;
|
||||||
#endif
|
using matsubara_time_domain = matsubara_domain<false>;
|
||||||
|
}
|
||||||
|
}
|
||||||
|
|
||||||
|
@ -18,19 +18,18 @@
|
|||||||
* TRIQS. If not, see <http://www.gnu.org/licenses/>.
|
* TRIQS. If not, see <http://www.gnu.org/licenses/>.
|
||||||
*
|
*
|
||||||
******************************************************************************/
|
******************************************************************************/
|
||||||
#ifndef TRIQS_GF_DOM_PRODUCT_H
|
#pragma once
|
||||||
#define TRIQS_GF_DOM_PRODUCT_H
|
|
||||||
#include "../tools.hpp"
|
#include "../tools.hpp"
|
||||||
namespace triqs { namespace gfs {
|
namespace triqs {
|
||||||
|
namespace gfs {
|
||||||
|
|
||||||
template<typename... Domains>
|
template <typename... Domains> struct domain_product {
|
||||||
struct domain_product {
|
using point_t = std::tuple<typename Domains::point_t...>;
|
||||||
typedef std::tuple<typename Domains::point_t...> point_t;
|
std::tuple<Domains...> domains;
|
||||||
std::tuple<Domains...> domains;
|
domain_product() = default;
|
||||||
domain_product() = default;
|
domain_product(Domains const&... doms) : domains(doms...) {}
|
||||||
domain_product(Domains const & ... doms) : domains(doms...) {}
|
friend bool operator==(domain_product const& D1, domain_product const& D2) { return D1.domains == D2.domains; }
|
||||||
friend bool operator == (domain_product const & D1, domain_product const & D2) { return D1.domains == D2.domains;}
|
// implement boost serializable, hdf5 if needed... (done at the mesh level).
|
||||||
};
|
};
|
||||||
|
}
|
||||||
}}
|
}
|
||||||
#endif
|
|
||||||
|
@ -1,8 +1,8 @@
|
|||||||
/*******************************************************************************
|
/*******************************************************************************
|
||||||
*
|
*
|
||||||
* TRIQS: a Toolbox for Research in Interacting Quantum Systems
|
* TRIQS: a Toolbox for Research in Interacting Quantum Systems
|
||||||
*
|
*
|
||||||
* Copyright (C) 2013 by O. Parcollet
|
* Copyright (C) 2012-2013 by O. Parcollet
|
||||||
*
|
*
|
||||||
* TRIQS is free software: you can redistribute it and/or modify it under the
|
* TRIQS is free software: you can redistribute it and/or modify it under the
|
||||||
* terms of the GNU General Public License as published by the Free Software
|
* terms of the GNU General Public License as published by the Free Software
|
||||||
@ -18,57 +18,62 @@
|
|||||||
* TRIQS. If not, see <http://www.gnu.org/licenses/>.
|
* TRIQS. If not, see <http://www.gnu.org/licenses/>.
|
||||||
*
|
*
|
||||||
******************************************************************************/
|
******************************************************************************/
|
||||||
#ifndef TRIQS_GF_EVALUATOR_H
|
#pragma once
|
||||||
#define TRIQS_GF_EVALUATOR_H
|
|
||||||
#include "./tools.hpp"
|
#include "./tools.hpp"
|
||||||
#include "./gf.hpp"
|
#include "./gf.hpp"
|
||||||
|
|
||||||
namespace triqs { namespace gfs {
|
namespace triqs {
|
||||||
namespace gfs_implementation {
|
namespace gfs {
|
||||||
|
namespace gfs_implementation {
|
||||||
|
|
||||||
// simple evaluation : take the point on the grid...
|
// simple evaluation : take the point on the grid...
|
||||||
struct evaluator_grid_simple {
|
struct evaluator_grid_simple {
|
||||||
long n;
|
long n;
|
||||||
evaluator_grid_simple() = default;
|
evaluator_grid_simple() = default;
|
||||||
|
template <typename MeshType, typename PointType> evaluator_grid_simple(MeshType const &m, PointType const &p) { n = p; }
|
||||||
template<typename MeshType, typename PointType>
|
template <typename F> auto operator()(F const &f) const DECL_AND_RETURN(f(n));
|
||||||
evaluator_grid_simple (MeshType const & m, PointType const & p) { n=p; }
|
|
||||||
template<typename F> auto operator()(F const & f) const DECL_AND_RETURN(f (n));
|
|
||||||
};
|
|
||||||
|
|
||||||
// a linear interpolation
|
|
||||||
struct evaluator_grid_linear_interpolation {
|
|
||||||
double w1, w2; size_t n1, n2;
|
|
||||||
|
|
||||||
evaluator_grid_linear_interpolation() = default;
|
|
||||||
|
|
||||||
template<typename MeshType, typename PointType>
|
|
||||||
evaluator_grid_linear_interpolation (MeshType const & m, PointType const & p, double prefactor=1) {
|
|
||||||
bool in; double w;
|
|
||||||
std::tie(in, n1, w) = windowing(m,p);
|
|
||||||
if (!in) TRIQS_RUNTIME_ERROR <<" Evaluation out of bounds";
|
|
||||||
w1 = prefactor * (1-w); w2 = prefactor * w; n2 = n1 +1;
|
|
||||||
}
|
|
||||||
|
|
||||||
template<typename F> auto operator()(F const & f) const DECL_AND_RETURN(w1 * f(n1) + w2 * f (n2));
|
|
||||||
};
|
|
||||||
|
|
||||||
// the evaluator for various types.
|
|
||||||
template<typename MeshType> struct evaluator_fnt_on_mesh;
|
|
||||||
|
|
||||||
// can not use inherited constructors, too recent...
|
|
||||||
#define TRIQS_INHERIT_AND_FORWARD_CONSTRUCTOR(NEWCLASS,CLASS) : CLASS { template<typename ...T> NEWCLASS(T &&... t) : CLASS(std::forward<T>(t)...){};};
|
|
||||||
|
|
||||||
//
|
|
||||||
template<typename Variable>
|
|
||||||
struct evaluator_one_var {
|
|
||||||
public :
|
|
||||||
static constexpr int arity = 1;
|
|
||||||
evaluator_one_var() = default;
|
|
||||||
template<typename G> auto operator()(G const * g, double x) const DECL_AND_RETURN(evaluator_fnt_on_mesh<Variable> (g->mesh(),x)(on_mesh(*g)));
|
|
||||||
template<typename G> typename G::singularity_t const & operator()(G const * g,freq_infty const &) const {return g->singularity();}
|
|
||||||
};
|
};
|
||||||
|
|
||||||
|
// a linear interpolation
|
||||||
|
struct evaluator_grid_linear_interpolation {
|
||||||
|
double w1, w2;
|
||||||
|
size_t n1, n2;
|
||||||
|
|
||||||
|
evaluator_grid_linear_interpolation() = default;
|
||||||
|
|
||||||
|
template <typename MeshType, typename PointType>
|
||||||
|
evaluator_grid_linear_interpolation(MeshType const &m, PointType const &p, double prefactor = 1) {
|
||||||
|
bool in;
|
||||||
|
double w;
|
||||||
|
std::tie(in, n1, w) = windowing(m, p);
|
||||||
|
if (!in) TRIQS_RUNTIME_ERROR << " Evaluation out of bounds";
|
||||||
|
w1 = prefactor * (1 - w);
|
||||||
|
w2 = prefactor * w;
|
||||||
|
n2 = n1 + 1;
|
||||||
|
}
|
||||||
|
|
||||||
|
template <typename F> auto operator()(F const &f) const DECL_AND_RETURN(w1 *f(n1) + w2 *f(n2));
|
||||||
|
};
|
||||||
|
|
||||||
|
// the evaluator for various types.
|
||||||
|
template <typename MeshType> struct evaluator_fnt_on_mesh;
|
||||||
|
|
||||||
|
// can not use inherited constructors, too recent...
|
||||||
|
#define TRIQS_INHERIT_AND_FORWARD_CONSTRUCTOR(NEWCLASS, CLASS) : CLASS { \
|
||||||
|
template <typename... T> NEWCLASS(T &&... t) : CLASS(std::forward<T>(t)...) {}; \
|
||||||
|
};
|
||||||
|
|
||||||
|
//
|
||||||
|
template <typename Variable> struct evaluator_one_var {
|
||||||
|
public:
|
||||||
|
static constexpr int arity = 1;
|
||||||
|
evaluator_one_var() = default;
|
||||||
|
template <typename G>
|
||||||
|
auto operator()(G const *g, double x) const DECL_AND_RETURN(evaluator_fnt_on_mesh<Variable>(g -> mesh(), x)(on_mesh(*g)));
|
||||||
|
template <typename G> typename G::singularity_t const &operator()(G const *g, freq_infty const &) const {
|
||||||
|
return g->singularity();
|
||||||
|
}
|
||||||
|
};
|
||||||
}
|
}
|
||||||
}}
|
}
|
||||||
#endif
|
}
|
||||||
|
747
triqs/gfs/gf.hpp
747
triqs/gfs/gf.hpp
@ -18,8 +18,7 @@
|
|||||||
* TRIQS. If not, see <http://www.gnu.org/licenses/>.
|
* TRIQS. If not, see <http://www.gnu.org/licenses/>.
|
||||||
*
|
*
|
||||||
******************************************************************************/
|
******************************************************************************/
|
||||||
#ifndef TRIQS_GF_GFBASECLASS_H
|
#pragma once
|
||||||
#define TRIQS_GF_GFBASECLASS_H
|
|
||||||
#include <triqs/utility/first_include.hpp>
|
#include <triqs/utility/first_include.hpp>
|
||||||
#include <triqs/utility/std_vector_expr_template.hpp>
|
#include <triqs/utility/std_vector_expr_template.hpp>
|
||||||
#include <triqs/utility/factory.hpp>
|
#include <triqs/utility/factory.hpp>
|
||||||
@ -29,7 +28,8 @@
|
|||||||
#include "./tools.hpp"
|
#include "./tools.hpp"
|
||||||
#include "./data_proxies.hpp"
|
#include "./data_proxies.hpp"
|
||||||
|
|
||||||
namespace triqs { namespace gfs {
|
namespace triqs {
|
||||||
|
namespace gfs {
|
||||||
using utility::factory;
|
using utility::factory;
|
||||||
using arrays::make_shape;
|
using arrays::make_shape;
|
||||||
using triqs::make_clone;
|
using triqs::make_clone;
|
||||||
@ -48,48 +48,43 @@ namespace triqs { namespace gfs {
|
|||||||
using gf_const_view = gf_view<Variable, Target, Opt, true>;
|
using gf_const_view = gf_view<Variable, Target, Opt, true>;
|
||||||
|
|
||||||
// the implementation class
|
// the implementation class
|
||||||
template<typename Variable, typename Target, typename Opt, bool IsView, bool IsConst> class gf_impl;
|
template <typename Variable, typename Target, typename Opt, bool IsView, bool IsConst> class gf_impl;
|
||||||
|
|
||||||
// various implementation traits
|
// various implementation traits
|
||||||
namespace gfs_implementation { // never use using of this...
|
namespace gfs_implementation { // never use using of this...
|
||||||
|
|
||||||
// evaluator regroup functions to evaluate the function.
|
// evaluator regroup functions to evaluate the function.
|
||||||
template<typename Variable, typename Target, typename Opt> struct evaluator{ static constexpr int arity = 0;};
|
template <typename Variable, typename Target, typename Opt> struct evaluator {
|
||||||
|
static constexpr int arity = 0;
|
||||||
|
};
|
||||||
|
|
||||||
// closest_point mechanism
|
// closest_point mechanism
|
||||||
template<typename Variable, typename Target, typename Opt> struct get_closest_point;
|
template <typename Variable, typename Target, typename Opt> struct get_closest_point;
|
||||||
|
|
||||||
// singularity
|
// singularity
|
||||||
template<typename Variable, typename Target, typename Opt> struct singularity { typedef nothing type;};
|
template <typename Variable, typename Target, typename Opt> struct singularity {
|
||||||
|
using type = nothing;
|
||||||
|
};
|
||||||
|
|
||||||
// symmetry
|
// symmetry
|
||||||
template<typename Variable, typename Target, typename Opt> struct symmetry { typedef nothing type;};
|
template <typename Variable, typename Target, typename Opt> struct symmetry {
|
||||||
|
using type = nothing;
|
||||||
|
};
|
||||||
|
|
||||||
// data_proxy contains function to manipulate the data array, but no data itself.
|
// data_proxy contains function to manipulate the data array, but no data itself.
|
||||||
// this is used to specialize this part of the code to array of dim 3 (matrix gf), dim 1 (scalar gf) and vector (e.g. block gf, ...)
|
// this is used to specialize this part of the code to array of dim 3 (matrix gf), dim 1 (scalar gf) and vector (e.g. block gf,
|
||||||
template<typename Variable, typename Target, typename Opt, typename Enable = void> struct data_proxy;
|
// ...)
|
||||||
|
template <typename Variable, typename Target, typename Opt, typename Enable = void> struct data_proxy;
|
||||||
|
|
||||||
// Traits to read/write in hdf5 files. Can be specialized for some case (Cf block). Defined below
|
// Traits to read/write in hdf5 files. Can be specialized for some case (Cf block). Defined below
|
||||||
template <typename Variable, typename Target, typename Opt> struct h5_name; // value is a const char
|
template <typename Variable, typename Target, typename Opt> struct h5_name; // value is a const char
|
||||||
template <typename Variable, typename Target, typename Opt> struct h5_rw;
|
template <typename Variable, typename Target, typename Opt> struct h5_rw;
|
||||||
|
|
||||||
// factories regroup all factories (constructors..) for all types of gf. Defaults implemented below.
|
// factories regroup all factories (constructors..) for all types of gf. Defaults implemented below.
|
||||||
template <typename Variable, typename Target, typename Opt> struct factories;
|
template <typename Variable, typename Target, typename Opt> struct factories;
|
||||||
|
|
||||||
} // gfs_implementation
|
} // gfs_implementation
|
||||||
|
|
||||||
// OBSOLETE : kept for backward compatibility only. Do not document.
|
|
||||||
// make_gf and make_gf_view forward any args to them
|
|
||||||
template <typename Variable, typename Target=matrix_valued, typename Opt=void, typename ... U>
|
|
||||||
gf<Variable,Target,Opt> make_gf(gf_mesh<Variable,Opt> m, U && ... x)
|
|
||||||
{ return gfs_implementation::factories<Variable,Target,Opt>::make_gf(std::move(m),std::forward<U>(x)...);}
|
|
||||||
|
|
||||||
template <typename Variable, typename Target=matrix_valued, typename Opt=void, typename ... U>
|
|
||||||
gf<Variable,Target,Opt> make_gf(U && ... x) { return gfs_implementation::factories<Variable,Target,Opt>::make_gf(std::forward<U>(x)...);}
|
|
||||||
|
|
||||||
template <typename Variable, typename Target=matrix_valued, typename Opt=void, typename ... U>
|
|
||||||
gf_view<Variable,Target,Opt> make_gf_view(U && ... x) { return gfs_implementation::factories<Variable,Target,Opt>::make_gf_view(std::forward<U>(x)...);}
|
|
||||||
|
|
||||||
// The trait that "marks" the Green function
|
// The trait that "marks" the Green function
|
||||||
TRIQS_DEFINE_CONCEPT_AND_ASSOCIATED_TRAIT(ImmutableGreenFunction);
|
TRIQS_DEFINE_CONCEPT_AND_ASSOCIATED_TRAIT(ImmutableGreenFunction);
|
||||||
|
|
||||||
@ -102,288 +97,297 @@ namespace triqs { namespace gfs {
|
|||||||
|
|
||||||
// overload get_shape for a vector to simplify code below in gf block case.
|
// overload get_shape for a vector to simplify code below in gf block case.
|
||||||
template <typename T> long get_shape(std::vector<T> const &x) { return x.size(); }
|
template <typename T> long get_shape(std::vector<T> const &x) { return x.size(); }
|
||||||
|
|
||||||
/// A common implementation class for gf and gf_view. They will only redefine contructor and = ...
|
/// A common implementation class for gf and gf_view. They will only redefine contructor and = ...
|
||||||
template <typename Variable, typename Target, typename Opt, bool IsView, bool IsConst>
|
template <typename Variable, typename Target, typename Opt, bool IsView, bool IsConst>
|
||||||
class gf_impl : TRIQS_CONCEPT_TAG_NAME(ImmutableGreenFunction) {
|
class gf_impl : TRIQS_CONCEPT_TAG_NAME(ImmutableGreenFunction) {
|
||||||
static_assert(!(!IsView && IsConst), "Internal error");
|
static_assert(!(!IsView && IsConst), "Internal error");
|
||||||
|
|
||||||
public :
|
public:
|
||||||
typedef gf_view<Variable,Target,Opt> mutable_view_type;
|
using mutable_view_type = gf_view<Variable, Target, Opt>;
|
||||||
typedef gf_const_view<Variable,Target,Opt> const_view_type;
|
using const_view_type = gf_const_view<Variable, Target, Opt>;
|
||||||
typedef typename std::conditional <IsConst, const_view_type, mutable_view_type>::type view_type;
|
using view_type = typename std::conditional<IsConst, const_view_type, mutable_view_type>::type;
|
||||||
typedef gf<Variable,Target,Opt> regular_type;
|
using regular_type = gf<Variable, Target, Opt>;
|
||||||
|
|
||||||
typedef Variable variable_t;
|
using variable_t = Variable;
|
||||||
typedef Target target_t;
|
using target_t = Target;
|
||||||
typedef Opt option_t;
|
using option_t = Opt;
|
||||||
|
|
||||||
typedef gf_mesh<Variable,Opt> mesh_t;
|
using mesh_t = gf_mesh<Variable, Opt>;
|
||||||
typedef typename mesh_t::domain_t domain_t;
|
using domain_t = typename mesh_t::domain_t;
|
||||||
typedef typename mesh_t::mesh_point_t mesh_point_t;
|
using mesh_point_t = typename mesh_t::mesh_point_t;
|
||||||
typedef typename mesh_t::index_t mesh_index_t;
|
using mesh_index_t = typename mesh_t::index_t;
|
||||||
typedef typename gfs_implementation::symmetry<Variable,Target,Opt>::type symmetry_t;
|
using symmetry_t = typename gfs_implementation::symmetry<Variable, Target, Opt>::type;
|
||||||
typedef gfs_implementation::evaluator<Variable,Target,Opt> evaluator_t;
|
using evaluator_t = gfs_implementation::evaluator<Variable, Target, Opt>;
|
||||||
|
|
||||||
typedef gfs_implementation::data_proxy<Variable,Target,Opt> data_proxy_t;
|
using data_proxy_t = gfs_implementation::data_proxy<Variable, Target, Opt>;
|
||||||
typedef typename data_proxy_t::storage_t data_regular_t;
|
using data_regular_t = typename data_proxy_t::storage_t;
|
||||||
typedef typename data_proxy_t::storage_view_t data_view_t;
|
using data_view_t = typename data_proxy_t::storage_view_t;
|
||||||
typedef typename data_proxy_t::storage_const_view_t data_const_view_t;
|
using data_const_view_t = typename data_proxy_t::storage_const_view_t;
|
||||||
typedef typename std::conditional<IsView, typename std::conditional<IsConst, data_const_view_t, data_view_t>::type,
|
using data_t = typename std::conditional<IsView, typename std::conditional<IsConst, data_const_view_t, data_view_t>::type,
|
||||||
data_regular_t>::type data_t;
|
data_regular_t>::type;
|
||||||
|
|
||||||
typedef typename gfs_implementation::singularity<Variable,Target,Opt>::type singularity_non_view_t;
|
using singularity_non_view_t = typename gfs_implementation::singularity<Variable, Target, Opt>::type;
|
||||||
typedef typename view_type_if_exists_else_type<singularity_non_view_t>::type singularity_view_t;
|
using singularity_view_t = typename view_type_if_exists_else_type<singularity_non_view_t>::type;
|
||||||
typedef typename std::conditional<IsView, singularity_view_t, singularity_non_view_t>::type singularity_t;
|
using singularity_t = typename std::conditional<IsView, singularity_view_t, singularity_non_view_t>::type;
|
||||||
|
|
||||||
mesh_t const & mesh() const { return _mesh;}
|
mesh_t const &mesh() const { return _mesh; }
|
||||||
domain_t const & domain() const { return _mesh.domain();}
|
domain_t const &domain() const { return _mesh.domain(); }
|
||||||
data_t & data() { return _data;}
|
data_t &data() { return _data; }
|
||||||
data_t const & data() const { return _data;}
|
data_t const &data() const { return _data; }
|
||||||
singularity_t & singularity() { return _singularity;}
|
singularity_t &singularity() { return _singularity; }
|
||||||
singularity_t const & singularity() const { return _singularity;}
|
singularity_t const &singularity() const { return _singularity; }
|
||||||
symmetry_t const & symmetry() const { return _symmetry;}
|
symmetry_t const &symmetry() const { return _symmetry; }
|
||||||
evaluator_t const & get_evaluator() const { return _evaluator;}
|
evaluator_t const &get_evaluator() const { return _evaluator; }
|
||||||
|
|
||||||
auto get_data_shape() const DECL_AND_RETURN(get_shape(this->data()));
|
auto get_data_shape() const DECL_AND_RETURN(get_shape(this -> data()));
|
||||||
|
|
||||||
protected:
|
protected:
|
||||||
mesh_t _mesh;
|
mesh_t _mesh;
|
||||||
data_t _data;
|
data_t _data;
|
||||||
singularity_t _singularity;
|
singularity_t _singularity;
|
||||||
symmetry_t _symmetry;
|
symmetry_t _symmetry;
|
||||||
evaluator_t _evaluator;
|
evaluator_t _evaluator;
|
||||||
data_proxy_t _data_proxy;
|
data_proxy_t _data_proxy;
|
||||||
|
|
||||||
// --------------------------------Constructors -----------------------------------------------
|
// --------------------------------Constructors -----------------------------------------------
|
||||||
// all protected but one, this is an implementation class, see gf/gf_view later for public one
|
// all protected but one, this is an implementation class, see gf/gf_view later for public one
|
||||||
gf_impl() {} // all arrays of zero size (empty)
|
gf_impl() {} // all arrays of zero size (empty)
|
||||||
|
|
||||||
public : //everyone can make a copy and a move (for clef lib in particular, this one needs to be public)
|
public: // everyone can make a copy and a move (for clef lib in particular, this one needs to be public)
|
||||||
gf_impl(gf_impl const &x)
|
gf_impl(gf_impl const &x)
|
||||||
: _mesh(x.mesh()),
|
: _mesh(x.mesh()),
|
||||||
_data(factory<data_t>(x.data())),
|
_data(factory<data_t>(x.data())),
|
||||||
_singularity(factory<singularity_t>(x.singularity())),
|
_singularity(factory<singularity_t>(x.singularity())),
|
||||||
_symmetry(x.symmetry()),
|
_symmetry(x.symmetry()),
|
||||||
_evaluator(x._evaluator) {}
|
_evaluator(x._evaluator) {}
|
||||||
|
|
||||||
gf_impl(gf_impl &&) = default;
|
gf_impl(gf_impl &&) = default;
|
||||||
|
|
||||||
protected:
|
protected:
|
||||||
template <typename G>
|
template <typename G>
|
||||||
gf_impl(G &&x, bool) // bool to disambiguate
|
gf_impl(G &&x, bool) // bool to disambiguate
|
||||||
: _mesh(x.mesh()),
|
: _mesh(x.mesh()),
|
||||||
_data(factory<data_t>(x.data())),
|
_data(factory<data_t>(x.data())),
|
||||||
_singularity(factory<singularity_t>(x.singularity())),
|
_singularity(factory<singularity_t>(x.singularity())),
|
||||||
_symmetry(x.symmetry()),
|
_symmetry(x.symmetry()),
|
||||||
_evaluator(x.get_evaluator()) {}
|
_evaluator(x.get_evaluator()) {}
|
||||||
|
|
||||||
template <typename M, typename D, typename S, typename SY, typename EV>
|
template <typename M, typename D, typename S, typename SY, typename EV>
|
||||||
gf_impl(M &&m, D &&dat, S &&sing, SY &&sy, EV &&ev)
|
gf_impl(M &&m, D &&dat, S &&sing, SY &&sy, EV &&ev)
|
||||||
: _mesh(std::forward<M>(m)),
|
: _mesh(std::forward<M>(m)),
|
||||||
_data(std::forward<D>(dat)),
|
_data(std::forward<D>(dat)),
|
||||||
_singularity(std::forward<S>(sing)),
|
_singularity(std::forward<S>(sing)),
|
||||||
_symmetry(std::forward<SY>(sy)),
|
_symmetry(std::forward<SY>(sy)),
|
||||||
_evaluator(std::forward<EV>(ev)) {}
|
_evaluator(std::forward<EV>(ev)) {}
|
||||||
|
|
||||||
void operator = (gf_impl const & rhs) = delete; // done in derived class.
|
void operator=(gf_impl const &rhs) = delete; // done in derived class.
|
||||||
|
|
||||||
void swap_impl (gf_impl & b) noexcept {
|
void swap_impl(gf_impl &b) noexcept {
|
||||||
using std::swap;
|
using std::swap;
|
||||||
swap(this->_mesh, b._mesh);
|
swap(this->_mesh, b._mesh);
|
||||||
swap(this->_data, b._data);
|
swap(this->_data, b._data);
|
||||||
swap(this->_singularity, b._singularity);
|
swap(this->_singularity, b._singularity);
|
||||||
swap(this->_symmetry, b._symmetry);
|
swap(this->_symmetry, b._symmetry);
|
||||||
swap(this->_evaluator, b._evaluator);
|
swap(this->_evaluator, b._evaluator);
|
||||||
}
|
}
|
||||||
|
|
||||||
public:
|
public:
|
||||||
|
// ------------- All the call operators -----------------------------
|
||||||
|
|
||||||
// ------------- All the call operators -----------------------------
|
// First, a simple () returns a view, like for an array...
|
||||||
|
const_view_type operator()() const { return *this; }
|
||||||
|
view_type operator()() { return *this; }
|
||||||
|
|
||||||
// First, a simple () returns a view, like for an array...
|
/// Calls are (perfectly) forwarded to the evaluator::operator(), except mesh_point_t and when
|
||||||
const_view_type operator()() const { return *this; }
|
/// there is at least one lazy argument ...
|
||||||
view_type operator()() { return *this; }
|
template <typename... Args> // match any argument list, picking out the first type : () is not permitted
|
||||||
|
typename std::add_const<typename boost::lazy_disable_if_c< // disable the template if one the following conditions it true
|
||||||
|
(sizeof...(Args) == 0) || clef::is_any_lazy<Args...>::value ||
|
||||||
|
((sizeof...(Args) != evaluator_t::arity) && (evaluator_t::arity != -1)) // if -1 : no check
|
||||||
|
,
|
||||||
|
std::result_of<evaluator_t(gf_impl *, Args...)> // what is the result type of call
|
||||||
|
>::type // end of lazy_disable_if
|
||||||
|
>::type // end of add_Const
|
||||||
|
operator()(Args &&... args) const {
|
||||||
|
return _evaluator(this, std::forward<Args>(args)...);
|
||||||
|
}
|
||||||
|
|
||||||
/// Calls are (perfectly) forwarded to the evaluator::operator(), except mesh_point_t and when
|
template <typename... Args> typename clef::_result_of::make_expr_call<gf_impl &, Args...>::type operator()(Args &&... args) & {
|
||||||
/// there is at least one lazy argument ...
|
return clef::make_expr_call(*this, std::forward<Args>(args)...);
|
||||||
template <typename... Args> // match any argument list, picking out the first type : () is not permitted
|
}
|
||||||
typename std::add_const<typename boost::lazy_disable_if_c< // disable the template if one the following conditions it true
|
|
||||||
(sizeof...(Args) == 0) || clef::is_any_lazy<Args...>::value ||
|
|
||||||
((sizeof...(Args) != evaluator_t::arity) && (evaluator_t::arity != -1)) // if -1 : no check
|
|
||||||
,
|
|
||||||
std::result_of<evaluator_t(gf_impl *, Args...)> // what is the result type of call
|
|
||||||
>::type // end of lazy_disable_if
|
|
||||||
>::type // end of add_Const
|
|
||||||
operator()(Args &&... args) const {
|
|
||||||
return _evaluator(this, std::forward<Args>(args)...);
|
|
||||||
}
|
|
||||||
|
|
||||||
template <typename... Args>
|
template <typename... Args>
|
||||||
typename clef::_result_of::make_expr_call<gf_impl &, Args...>::type operator()(Args &&... args) & {
|
typename clef::_result_of::make_expr_call<gf_impl const &, Args...>::type operator()(Args &&... args) const &{
|
||||||
return clef::make_expr_call(*this, std::forward<Args>(args)...);
|
return clef::make_expr_call(*this, std::forward<Args>(args)...);
|
||||||
}
|
}
|
||||||
|
|
||||||
template <typename... Args>
|
template <typename... Args> typename clef::_result_of::make_expr_call<gf_impl, Args...>::type operator()(Args &&... args) && {
|
||||||
typename clef::_result_of::make_expr_call<gf_impl const &, Args...>::type operator()(Args &&... args) const &{
|
return clef::make_expr_call(std::move(*this), std::forward<Args>(args)...);
|
||||||
return clef::make_expr_call(*this, std::forward<Args>(args)...);
|
}
|
||||||
}
|
|
||||||
|
|
||||||
template <typename... Args> typename clef::_result_of::make_expr_call<gf_impl, Args...>::type operator()(Args &&... args) && {
|
// ------------- All the [] operators -----------------------------
|
||||||
return clef::make_expr_call(std::move(*this), std::forward<Args>(args)...);
|
// [] and access to the grid point
|
||||||
}
|
using r_type = typename std::result_of<data_proxy_t(data_t &, size_t)>::type;
|
||||||
|
using cr_type = typename std::result_of<data_proxy_t(data_t const &, size_t)>::type;
|
||||||
|
|
||||||
// ------------- All the [] operators -----------------------------
|
r_type operator[](mesh_index_t const &arg) { return _data_proxy(_data, _mesh.index_to_linear(arg)); }
|
||||||
// [] and access to the grid point
|
cr_type operator[](mesh_index_t const &arg) const { return _data_proxy(_data, _mesh.index_to_linear(arg)); }
|
||||||
typedef typename std::result_of<data_proxy_t(data_t &, size_t)>::type r_type;
|
|
||||||
typedef typename std::result_of<data_proxy_t(data_t const &, size_t)>::type cr_type;
|
|
||||||
|
|
||||||
r_type operator[] (mesh_index_t const & arg) { return _data_proxy(_data,_mesh.index_to_linear(arg));}
|
r_type operator[](mesh_point_t const &x) { return _data_proxy(_data, x.linear_index()); }
|
||||||
cr_type operator[] (mesh_index_t const & arg) const { return _data_proxy(_data,_mesh.index_to_linear(arg));}
|
cr_type operator[](mesh_point_t const &x) const { return _data_proxy(_data, x.linear_index()); }
|
||||||
|
|
||||||
r_type operator[] (mesh_point_t const & x) { return _data_proxy(_data, x.linear_index());}
|
template <typename... U> r_type operator[](closest_pt_wrap<U...> const &p) {
|
||||||
cr_type operator[] (mesh_point_t const & x) const { return _data_proxy(_data, x.linear_index());}
|
return _data_proxy(_data,
|
||||||
|
_mesh.index_to_linear(gfs_implementation::get_closest_point<Variable, Target, Opt>::invoke(this, p)));
|
||||||
|
}
|
||||||
|
template <typename... U> cr_type operator[](closest_pt_wrap<U...> const &p) const {
|
||||||
|
return _data_proxy(_data,
|
||||||
|
_mesh.index_to_linear(gfs_implementation::get_closest_point<Variable, Target, Opt>::invoke(this, p)));
|
||||||
|
}
|
||||||
|
|
||||||
template<typename ... U>
|
template <typename Arg>
|
||||||
r_type operator[] (closest_pt_wrap<U...> const & p) { return _data_proxy(_data, _mesh.index_to_linear( gfs_implementation::get_closest_point<Variable,Target,Opt>::invoke(this,p)));}
|
typename clef::_result_of::make_expr_subscript<gf_impl const &, Arg>::type operator[](Arg &&arg) const &{
|
||||||
template<typename ... U>
|
return clef::make_expr_subscript(*this, std::forward<Arg>(arg));
|
||||||
cr_type operator[] (closest_pt_wrap<U...> const & p) const { return _data_proxy(_data, _mesh.index_to_linear( gfs_implementation::get_closest_point<Variable,Target,Opt>::invoke(this,p)));}
|
}
|
||||||
|
|
||||||
template<typename Arg>
|
template <typename Arg> typename clef::_result_of::make_expr_subscript<gf_impl &, Arg>::type operator[](Arg &&arg) & {
|
||||||
typename clef::_result_of::make_expr_subscript<gf_impl const &,Arg>::type
|
return clef::make_expr_subscript(*this, std::forward<Arg>(arg));
|
||||||
operator[](Arg && arg) const & { return clef::make_expr_subscript(*this,std::forward<Arg>(arg));}
|
}
|
||||||
|
|
||||||
template<typename Arg>
|
template <typename Arg> typename clef::_result_of::make_expr_subscript<gf_impl, Arg>::type operator[](Arg &&arg) && {
|
||||||
typename clef::_result_of::make_expr_subscript<gf_impl &,Arg>::type
|
return clef::make_expr_subscript(std::move(*this), std::forward<Arg>(arg));
|
||||||
operator[](Arg && arg) & { return clef::make_expr_subscript(*this,std::forward<Arg>(arg));}
|
}
|
||||||
|
|
||||||
template<typename Arg>
|
/// --------------------- A direct access to the grid point --------------------------
|
||||||
typename clef::_result_of::make_expr_subscript<gf_impl,Arg>::type
|
template <typename... Args> r_type on_mesh(Args &&... args) {
|
||||||
operator[](Arg && arg) && { return clef::make_expr_subscript(std::move(*this),std::forward<Arg>(arg));}
|
return _data_proxy(_data, _mesh.index_to_linear(mesh_index_t(std::forward<Args>(args)...)));
|
||||||
|
}
|
||||||
|
|
||||||
/// --------------------- A direct access to the grid point --------------------------
|
template <typename... Args> cr_type on_mesh(Args &&... args) const {
|
||||||
template<typename... Args>
|
return _data_proxy(_data, _mesh.index_to_linear(mesh_index_t(std::forward<Args>(args)...)));
|
||||||
r_type on_mesh (Args&&... args) { return _data_proxy(_data,_mesh.index_to_linear(mesh_index_t(std::forward<Args>(args)...)));}
|
}
|
||||||
|
|
||||||
template<typename... Args>
|
// The on_mesh little adaptor ....
|
||||||
cr_type on_mesh (Args&&... args) const { return _data_proxy(_data,_mesh.index_to_linear(mesh_index_t(std::forward<Args>(args)...)));}
|
private:
|
||||||
|
struct _on_mesh_wrapper_const {
|
||||||
|
gf_impl const &f;
|
||||||
|
template <typename... Args> cr_type operator()(Args &&... args) const { return f.on_mesh(std::forward<Args>(args)...); }
|
||||||
|
};
|
||||||
|
struct _on_mesh_wrapper {
|
||||||
|
gf_impl &f;
|
||||||
|
template <typename... Args> r_type operator()(Args &&... args) const { return f.on_mesh(std::forward<Args>(args)...); }
|
||||||
|
};
|
||||||
|
|
||||||
// The on_mesh little adaptor ....
|
public:
|
||||||
private:
|
_on_mesh_wrapper_const friend on_mesh(gf_impl const &f) {
|
||||||
struct _on_mesh_wrapper_const {
|
return {f};
|
||||||
gf_impl const &f;
|
}
|
||||||
template <typename... Args> cr_type operator()(Args &&... args) const { return f.on_mesh(std::forward<Args>(args)...); }
|
_on_mesh_wrapper friend on_mesh(gf_impl &f) {
|
||||||
};
|
return {f};
|
||||||
struct _on_mesh_wrapper {
|
}
|
||||||
gf_impl &f;
|
|
||||||
template <typename... Args> r_type operator()(Args &&... args) const { return f.on_mesh(std::forward<Args>(args)...); }
|
|
||||||
};
|
|
||||||
|
|
||||||
public:
|
//----------------------------- HDF5 -----------------------------
|
||||||
_on_mesh_wrapper_const friend on_mesh(gf_impl const &f) {
|
|
||||||
return {f};
|
|
||||||
}
|
|
||||||
_on_mesh_wrapper friend on_mesh(gf_impl &f) {
|
|
||||||
return {f};
|
|
||||||
}
|
|
||||||
|
|
||||||
//----------------------------- HDF5 -----------------------------
|
friend std::string get_triqs_hdf5_data_scheme(gf_impl const &g) {
|
||||||
|
return "Gf" + gfs_implementation::h5_name<Variable, Target, Opt>::invoke();
|
||||||
|
}
|
||||||
|
|
||||||
friend std::string get_triqs_hdf5_data_scheme(gf_impl const & g) { return "Gf" + gfs_implementation::h5_name<Variable,Target,Opt>::invoke();}
|
friend class gfs_implementation::h5_rw<Variable, Target, Opt>;
|
||||||
|
|
||||||
friend class gfs_implementation::h5_rw<Variable,Target,Opt>;
|
/// Write into HDF5
|
||||||
|
friend void h5_write(h5::group fg, std::string subgroup_name, gf_impl const &g) {
|
||||||
|
auto gr = fg.create_group(subgroup_name);
|
||||||
|
gr.write_triqs_hdf5_data_scheme(g);
|
||||||
|
gfs_implementation::h5_rw<Variable, Target, Opt>::write(gr, g);
|
||||||
|
}
|
||||||
|
|
||||||
/// Write into HDF5
|
/// Read from HDF5
|
||||||
friend void h5_write (h5::group fg, std::string subgroup_name, gf_impl const & g) {
|
friend void h5_read(h5::group fg, std::string subgroup_name, gf_impl &g) {
|
||||||
auto gr = fg.create_group(subgroup_name);
|
auto gr = fg.open_group(subgroup_name);
|
||||||
gr.write_triqs_hdf5_data_scheme(g);
|
// Check the attribute or throw
|
||||||
gfs_implementation::h5_rw<Variable,Target,Opt>::write(gr, g);
|
auto tag_file = gr.read_triqs_hdf5_data_scheme();
|
||||||
}
|
auto tag_expected = get_triqs_hdf5_data_scheme(g);
|
||||||
|
if (tag_file != tag_expected)
|
||||||
|
TRIQS_RUNTIME_ERROR << "h5_read : mismatch of the tag TRIQS_HDF5_data_scheme tag in the h5 group : found " << tag_file
|
||||||
|
<< " while I expected " << tag_expected;
|
||||||
|
gfs_implementation::h5_rw<Variable, Target, Opt>::read(gr, g);
|
||||||
|
}
|
||||||
|
|
||||||
/// Read from HDF5
|
//----------------------------- BOOST Serialization -----------------------------
|
||||||
friend void h5_read (h5::group fg, std::string subgroup_name, gf_impl & g) {
|
friend class boost::serialization::access;
|
||||||
auto gr = fg.open_group(subgroup_name);
|
template <class Archive> void serialize(Archive &ar, const unsigned int version) {
|
||||||
// Check the attribute or throw
|
ar &boost::serialization::make_nvp("data", _data);
|
||||||
auto tag_file = gr.read_triqs_hdf5_data_scheme();
|
ar &boost::serialization::make_nvp("singularity", _singularity);
|
||||||
auto tag_expected= get_triqs_hdf5_data_scheme(g);
|
ar &boost::serialization::make_nvp("mesh", _mesh);
|
||||||
if (tag_file != tag_expected)
|
ar &boost::serialization::make_nvp("symmetry", _symmetry);
|
||||||
TRIQS_RUNTIME_ERROR<< "h5_read : mismatch of the tag TRIQS_HDF5_data_scheme tag in the h5 group : found "<<tag_file << " while I expected "<< tag_expected;
|
}
|
||||||
gfs_implementation::h5_rw<Variable,Target,Opt>::read(gr, g);
|
|
||||||
}
|
|
||||||
|
|
||||||
//----------------------------- BOOST Serialization -----------------------------
|
|
||||||
friend class boost::serialization::access;
|
|
||||||
template<class Archive>
|
|
||||||
void serialize(Archive & ar, const unsigned int version) {
|
|
||||||
ar & boost::serialization::make_nvp("data",_data);
|
|
||||||
ar & boost::serialization::make_nvp("singularity",_singularity);
|
|
||||||
ar & boost::serialization::make_nvp("mesh",_mesh);
|
|
||||||
ar & boost::serialization::make_nvp("symmetry",_symmetry);
|
|
||||||
}
|
|
||||||
|
|
||||||
/// print
|
|
||||||
friend std::ostream & operator << (std::ostream & out, gf_impl const & x) { return out<<(IsView ? "gf_view": "gf");}
|
|
||||||
friend std::ostream & triqs_nvl_formal_print(std::ostream & out, gf_impl const & x) { return out<<(IsView ? "gf_view": "gf");}
|
|
||||||
|
|
||||||
|
/// print
|
||||||
|
friend std::ostream &operator<<(std::ostream &out, gf_impl const &x) { return out << (IsView ? "gf_view" : "gf"); }
|
||||||
|
friend std::ostream &triqs_nvl_formal_print(std::ostream &out, gf_impl const &x) { return out << (IsView ? "gf_view" : "gf"); }
|
||||||
};
|
};
|
||||||
|
|
||||||
// -------------------------Interaction with the CLEF library : auto assignement implemnetation--------------------------------------
|
// -------------------------Interaction with the CLEF library : auto assignement implementation -----------------
|
||||||
// auto assignment of the gf (gf(om_) << expression fills the functions by evaluation of expression)
|
// auto assignment of the gf (gf(om_) << expression fills the functions by evaluation of expression)
|
||||||
|
|
||||||
template <typename RHS, typename Variable, typename Target, typename Opt, bool IsView>
|
template <typename RHS, typename Variable, typename Target, typename Opt, bool IsView>
|
||||||
void triqs_clef_auto_assign(gf_impl<Variable, Target, Opt, IsView, false> &g, RHS const &rhs) {
|
void triqs_clef_auto_assign(gf_impl<Variable, Target, Opt, IsView, false> &g, RHS const &rhs) {
|
||||||
triqs_clef_auto_assign_impl(g, rhs, typename std::is_base_of<tag::composite, gf_mesh<Variable,Opt>>::type());
|
triqs_clef_auto_assign_impl(g, rhs, typename std::is_base_of<tag::composite, gf_mesh<Variable, Opt>>::type());
|
||||||
assign_from_expression(g.singularity(), rhs);
|
assign_from_expression(g.singularity(), rhs);
|
||||||
// access to the data . Beware, we view it as a *matrix* NOT an array... (crucial for assignment to scalars !)
|
// access to the data . Beware, we view it as a *matrix* NOT an array... (crucial for assignment to scalars !)
|
||||||
// if f is an expression, replace the placeholder with a simple tail. If f is a function callable on freq_infty,
|
// if f is an expression, replace the placeholder with a simple tail. If f is a function callable on freq_infty,
|
||||||
// it uses the fact that tail_non_view_t can be casted into freq_infty
|
// it uses the fact that tail_non_view_t can be casted into freq_infty
|
||||||
}
|
}
|
||||||
|
|
||||||
// enable the writing g[om_] << .... also
|
// enable the writing g[om_] << .... also
|
||||||
template <typename RHS, typename Variable, typename Target, typename Opt, bool IsView>
|
template <typename RHS, typename Variable, typename Target, typename Opt, bool IsView>
|
||||||
void triqs_clef_auto_assign_subscript(gf_impl<Variable, Target, Opt, IsView, false> &g, RHS const &rhs) {
|
void triqs_clef_auto_assign_subscript(gf_impl<Variable, Target, Opt, IsView, false> &g, RHS const &rhs) {
|
||||||
triqs_clef_auto_assign(g, rhs);
|
triqs_clef_auto_assign(g, rhs);
|
||||||
}
|
}
|
||||||
|
|
||||||
template <bool B, typename G, typename RHS>
|
template <bool B, typename G, typename RHS>
|
||||||
void triqs_gf_clef_auto_assign_impl_aux_assign(G &&g, RHS &&rhs, std::integral_constant<bool, B>) {
|
void triqs_gf_clef_auto_assign_impl_aux_assign(G &&g, RHS &&rhs, std::integral_constant<bool, B>) {
|
||||||
std::forward<G>(g) = std::forward<RHS>(rhs);
|
std::forward<G>(g) = std::forward<RHS>(rhs);
|
||||||
}
|
}
|
||||||
|
|
||||||
template <typename G, bool B, typename Expr, int... Is>
|
template <typename G, bool B, typename Expr, int... Is>
|
||||||
void triqs_gf_clef_auto_assign_impl_aux_assign(G &&g, clef::make_fun_impl<Expr, Is...> &&rhs, std::integral_constant<bool, B>) {
|
void triqs_gf_clef_auto_assign_impl_aux_assign(G &&g, clef::make_fun_impl<Expr, Is...> &&rhs, std::integral_constant<bool, B>) {
|
||||||
triqs_clef_auto_assign_impl(std::forward<G>(g), std::forward<clef::make_fun_impl<Expr, Is...>>(rhs), std::integral_constant<bool, B>());
|
triqs_clef_auto_assign_impl(std::forward<G>(g), std::forward<clef::make_fun_impl<Expr, Is...>>(rhs),
|
||||||
}
|
std::integral_constant<bool, B>());
|
||||||
|
}
|
||||||
|
|
||||||
template <typename RHS, typename Variable, typename Target, typename Opt, bool IsView>
|
template <typename RHS, typename Variable, typename Target, typename Opt, bool IsView>
|
||||||
void triqs_clef_auto_assign_impl(gf_impl<Variable, Target, Opt, IsView, false> &g, RHS const &rhs,
|
void triqs_clef_auto_assign_impl(gf_impl<Variable, Target, Opt, IsView, false> &g, RHS const &rhs,
|
||||||
std::integral_constant<bool, false>) {
|
std::integral_constant<bool, false>) {
|
||||||
for (auto const &w : g.mesh()) {
|
for (auto const &w : g.mesh()) {
|
||||||
triqs_gf_clef_auto_assign_impl_aux_assign(g[w], rhs(w), std::integral_constant<bool, false>());
|
triqs_gf_clef_auto_assign_impl_aux_assign(g[w], rhs(w), std::integral_constant<bool, false>());
|
||||||
//(*this)[w] = rhs(w);
|
//(*this)[w] = rhs(w);
|
||||||
}
|
|
||||||
}
|
}
|
||||||
|
}
|
||||||
|
|
||||||
template <typename RHS, typename Variable, typename Target, typename Opt, bool IsView>
|
template <typename RHS, typename Variable, typename Target, typename Opt, bool IsView>
|
||||||
void triqs_clef_auto_assign_impl(gf_impl<Variable, Target, Opt, IsView, false> &g, RHS const &rhs,
|
void triqs_clef_auto_assign_impl(gf_impl<Variable, Target, Opt, IsView, false> &g, RHS const &rhs,
|
||||||
std::integral_constant<bool, true>) {
|
std::integral_constant<bool, true>) {
|
||||||
for (auto const &w : g.mesh()) {
|
for (auto const &w : g.mesh()) {
|
||||||
triqs_gf_clef_auto_assign_impl_aux_assign(g[w], triqs::tuple::apply(rhs, w.components_tuple()), std::integral_constant<bool, true>());
|
triqs_gf_clef_auto_assign_impl_aux_assign(g[w], triqs::tuple::apply(rhs, w.components_tuple()),
|
||||||
//(*this)[w] = triqs::tuple::apply(rhs, w.components_tuple());
|
std::integral_constant<bool, true>());
|
||||||
}
|
//(*this)[w] = triqs::tuple::apply(rhs, w.components_tuple());
|
||||||
}
|
}
|
||||||
|
}
|
||||||
|
|
||||||
// -------------------------The regular class of GF --------------------------------------------------------
|
// -------------------------The regular class of GF --------------------------------------------------------
|
||||||
|
|
||||||
template<typename Variable, typename Target, typename Opt> class gf : public gf_impl<Variable,Target,Opt,false, false> {
|
template <typename Variable, typename Target, typename Opt> class gf : public gf_impl<Variable, Target, Opt, false, false> {
|
||||||
typedef gf_impl<Variable,Target,Opt,false,false> B;
|
using B = gf_impl<Variable, Target, Opt, false, false>;
|
||||||
typedef gfs_implementation::factories<Variable,Target,Opt> factory;
|
using factory = gfs_implementation::factories<Variable, Target, Opt>;
|
||||||
public :
|
|
||||||
|
public:
|
||||||
gf() : B() {}
|
gf() : B() {}
|
||||||
gf(gf const &g) : B(g) {}
|
gf(gf const &g) : B(g) {}
|
||||||
gf(gf &&g) noexcept : B(std::move(g)) {}
|
gf(gf &&g) noexcept : B(std::move(g)) {}
|
||||||
gf(gf_view<Variable, Target, Opt> const &g) : B(g, bool{}) {}
|
gf(gf_view<Variable, Target, Opt> const &g) : B(g, bool {}) {}
|
||||||
gf(gf_const_view<Variable, Target, Opt> const &g) : B(g, bool{}) {}
|
gf(gf_const_view<Variable, Target, Opt> const &g) : B(g, bool {}) {}
|
||||||
|
|
||||||
template <typename GfType>
|
template <typename GfType>
|
||||||
gf(GfType const &x, typename std::enable_if<ImmutableGreenFunction<GfType>::value>::type *dummy = 0)
|
gf(GfType const &x, typename std::enable_if<ImmutableGreenFunction<GfType>::value>::type *dummy = 0)
|
||||||
@ -394,50 +398,64 @@ namespace triqs { namespace gfs {
|
|||||||
gf(typename B::mesh_t m, typename B::data_t dat, typename B::singularity_view_t const &si, typename B::symmetry_t const &s)
|
gf(typename B::mesh_t m, typename B::data_t dat, typename B::singularity_view_t const &si, typename B::symmetry_t const &s)
|
||||||
: B(std::move(m), std::move(dat), si, s, typename B::evaluator_t{}) {}
|
: B(std::move(m), std::move(dat), si, s, typename B::evaluator_t{}) {}
|
||||||
|
|
||||||
typedef typename factory::target_shape_t target_shape_t;
|
using target_shape_t = typename factory::target_shape_t;
|
||||||
|
|
||||||
gf(typename B::mesh_t m, target_shape_t shape = target_shape_t{} ):
|
gf(typename B::mesh_t m, target_shape_t shape = target_shape_t{})
|
||||||
B(std::move(m), factory::make_data(m,shape), factory::make_singularity(m,shape), typename B::symmetry_t {}, typename B::evaluator_t{}) {}
|
: B(std::move(m), factory::make_data(m, shape), factory::make_singularity(m, shape), typename B::symmetry_t{},
|
||||||
|
typename B::evaluator_t{}) {}
|
||||||
|
|
||||||
friend void swap (gf & a, gf & b) noexcept { a.swap_impl (b);}
|
friend void swap(gf &a, gf &b) noexcept { a.swap_impl(b); }
|
||||||
|
|
||||||
gf & operator = (gf const & rhs) { *this = gf(rhs); return *this;} // use move =
|
gf &operator=(gf const &rhs) {
|
||||||
gf & operator = (gf & rhs) { *this = gf(rhs); return *this;} // use move =
|
*this = gf(rhs);
|
||||||
gf & operator = (gf && rhs) noexcept { swap(*this,rhs); return *this;}
|
return *this;
|
||||||
|
} // use move =
|
||||||
template<typename RHS> void operator = (RHS && rhs) {
|
gf &operator=(gf &rhs) {
|
||||||
this->_mesh = rhs.mesh();
|
*this = gf(rhs);
|
||||||
this->_data.resize(get_gf_data_shape(rhs));
|
return *this;
|
||||||
for (auto const & w: this->mesh()) { (*this)[w] = rhs[w]; }
|
} // use move =
|
||||||
this->_singularity = rhs.singularity();
|
gf &operator=(gf &&rhs) noexcept {
|
||||||
// to be implemented : there is none in the gf_expr in particular....
|
swap(*this, rhs);
|
||||||
//this->_symmetry = rhs.symmetry();
|
return *this;
|
||||||
}
|
}
|
||||||
|
|
||||||
|
template <typename RHS> void operator=(RHS &&rhs) {
|
||||||
|
this->_mesh = rhs.mesh();
|
||||||
|
this->_data.resize(get_gf_data_shape(rhs));
|
||||||
|
for (auto const &w : this->mesh()) {
|
||||||
|
(*this)[w] = rhs[w];
|
||||||
|
}
|
||||||
|
this->_singularity = rhs.singularity();
|
||||||
|
// to be implemented : there is none in the gf_expr in particular....
|
||||||
|
// this->_symmetry = rhs.symmetry();
|
||||||
|
}
|
||||||
};
|
};
|
||||||
|
|
||||||
// --------------------------The const View class of GF -------------------------------------------------------
|
// --------------------------The const View class of GF -------------------------------------------------------
|
||||||
|
|
||||||
template<typename Variable, typename Target, typename Opt> class gf_view<Variable,Target,Opt,true> : public gf_impl<Variable,Target,Opt,true,true> {
|
template <typename Variable, typename Target, typename Opt>
|
||||||
typedef gf_impl<Variable,Target,Opt,true,true> B;
|
class gf_view<Variable, Target, Opt, true> : public gf_impl<Variable, Target, Opt, true, true> {
|
||||||
public :
|
using B = gf_impl<Variable, Target, Opt, true, true>;
|
||||||
|
|
||||||
|
public:
|
||||||
gf_view() = delete;
|
gf_view() = delete;
|
||||||
gf_view(gf_view const &g) : B(g) {}
|
gf_view(gf_view const &g) : B(g) {}
|
||||||
gf_view(gf_view &&g) noexcept : B(std::move(g)) {}
|
gf_view(gf_view &&g) noexcept : B(std::move(g)) {}
|
||||||
|
|
||||||
gf_view(gf_impl<Variable, Target, Opt, true, true> const &g) : B(g, bool{}) {} // from a const_view
|
gf_view(gf_impl<Variable, Target, Opt, true, true> const &g) : B(g, bool {}) {} // from a const_view
|
||||||
gf_view(gf_impl<Variable, Target, Opt, true, false> const &g) : B(g, bool{}) {} // from a view
|
gf_view(gf_impl<Variable, Target, Opt, true, false> const &g) : B(g, bool {}) {} // from a view
|
||||||
gf_view(gf_impl<Variable, Target, Opt, false, false> const &g) : B(g, bool{}) {} // from a const gf
|
gf_view(gf_impl<Variable, Target, Opt, false, false> const &g) : B(g, bool {}) {} // from a const gf
|
||||||
gf_view(gf_impl<Variable, Target, Opt, false, false> &g) : B(g, bool{}) {} // from a gf &
|
gf_view(gf_impl<Variable, Target, Opt, false, false> &g) : B(g, bool {}) {} // from a gf &
|
||||||
gf_view(gf_impl<Variable, Target, Opt, false, false> &&g) noexcept : B(std::move(g), bool{}) {} // from a gf &&
|
gf_view(gf_impl<Variable, Target, Opt, false, false> &&g) noexcept : B(std::move(g), bool {}) {} // from a gf &&
|
||||||
|
|
||||||
template <typename D>
|
template <typename D>
|
||||||
gf_view(typename B::mesh_t const &m, D const &dat, typename B::singularity_view_t const &t, typename B::symmetry_t const &s)
|
gf_view(typename B::mesh_t const &m, D const &dat, typename B::singularity_view_t const &t, typename B::symmetry_t const &s)
|
||||||
: B(m, factory<typename B::data_t>(dat), t, s, typename B::evaluator_t{}) {}
|
: B(m, factory<typename B::data_t>(dat), t, s, typename B::evaluator_t{}) {}
|
||||||
|
|
||||||
void rebind(gf_view const &X) noexcept {
|
void rebind(gf_view const &X) noexcept {
|
||||||
this->_mesh = X._mesh; this->_symmetry = X._symmetry;
|
this->_mesh = X._mesh;
|
||||||
this->_data_proxy.rebind(this->_data,X);
|
this->_symmetry = X._symmetry;
|
||||||
|
this->_data_proxy.rebind(this->_data, X);
|
||||||
this->_singularity.rebind(X._singularity);
|
this->_singularity.rebind(X._singularity);
|
||||||
}
|
}
|
||||||
|
|
||||||
@ -445,33 +463,36 @@ namespace triqs { namespace gfs {
|
|||||||
rebind(gf_view{X});
|
rebind(gf_view{X});
|
||||||
}
|
}
|
||||||
|
|
||||||
gf_view & operator = (gf_view const & ) = delete;
|
gf_view &operator=(gf_view const &) = delete;
|
||||||
}; // class gf_const_view
|
}; // class gf_const_view
|
||||||
|
|
||||||
// ------------------------- The View class of GF -------------------------------------------------------
|
// ------------------------- The View class of GF -------------------------------------------------------
|
||||||
|
|
||||||
template<typename Variable, typename Target, typename Opt> class gf_view<Variable,Target,Opt,false> : public gf_impl<Variable,Target,Opt,true,false> {
|
template <typename Variable, typename Target, typename Opt>
|
||||||
typedef gf_impl<Variable,Target,Opt,true,false> B;
|
class gf_view<Variable, Target, Opt, false> : public gf_impl<Variable, Target, Opt, true, false> {
|
||||||
public :
|
using B = gf_impl<Variable, Target, Opt, true, false>;
|
||||||
|
|
||||||
|
public:
|
||||||
gf_view() = delete;
|
gf_view() = delete;
|
||||||
gf_view(gf_view const &g) : B(g) {}
|
gf_view(gf_view const &g) : B(g) {}
|
||||||
gf_view(gf_view &&g) noexcept : B(std::move(g)) {}
|
gf_view(gf_view &&g) noexcept : B(std::move(g)) {}
|
||||||
|
|
||||||
gf_view(gf_impl<Variable, Target, Opt, true, true> const &g) = delete; // from a const view : impossible
|
gf_view(gf_impl<Variable, Target, Opt, true, true> const &g) = delete; // from a const view : impossible
|
||||||
gf_view(gf_impl<Variable, Target, Opt, true, false> const &g) : B(g, bool{}) {} // from a view
|
gf_view(gf_impl<Variable, Target, Opt, true, false> const &g) : B(g, bool {}) {} // from a view
|
||||||
gf_view(gf_impl<Variable, Target, Opt, false, false> const &g) = delete; // from a const gf : impossible
|
gf_view(gf_impl<Variable, Target, Opt, false, false> const &g) = delete; // from a const gf : impossible
|
||||||
gf_view(gf_impl<Variable, Target, Opt, false, false> &g) : B(g, bool{}) {} // from a gf &
|
gf_view(gf_impl<Variable, Target, Opt, false, false> &g) : B(g, bool {}) {} // from a gf &
|
||||||
gf_view(gf_impl<Variable, Target, Opt, false, false> &&g) noexcept : B(std::move(g), bool{}) {} // from a gf &&
|
gf_view(gf_impl<Variable, Target, Opt, false, false> &&g) noexcept : B(std::move(g), bool {}) {} // from a gf &&
|
||||||
|
|
||||||
template <typename D>
|
template <typename D>
|
||||||
gf_view(typename B::mesh_t const &m, D const &dat, typename B::singularity_view_t const &t, typename B::symmetry_t const &s)
|
gf_view(typename B::mesh_t const &m, D const &dat, typename B::singularity_view_t const &t, typename B::symmetry_t const &s)
|
||||||
: B(m, factory<typename B::data_t>(dat), t, s, typename B::evaluator_t{}) {}
|
: B(m, factory<typename B::data_t>(dat), t, s, typename B::evaluator_t{}) {}
|
||||||
|
|
||||||
friend void swap (gf_view & a, gf_view & b) noexcept { a.swap_impl (b);}
|
friend void swap(gf_view &a, gf_view &b) noexcept { a.swap_impl(b); }
|
||||||
|
|
||||||
void rebind(gf_view const &X) noexcept {
|
void rebind(gf_view const &X) noexcept {
|
||||||
this->_mesh = X._mesh; this->_symmetry = X._symmetry;
|
this->_mesh = X._mesh;
|
||||||
this->_data_proxy.rebind(this->_data,X);
|
this->_symmetry = X._symmetry;
|
||||||
|
this->_data_proxy.rebind(this->_data, X);
|
||||||
this->_singularity.rebind(X._singularity);
|
this->_singularity.rebind(X._singularity);
|
||||||
}
|
}
|
||||||
|
|
||||||
@ -487,89 +508,93 @@ namespace triqs { namespace gfs {
|
|||||||
}; // class gf_view
|
}; // class gf_view
|
||||||
|
|
||||||
// delegate = so that I can overload it for specific RHS...
|
// delegate = so that I can overload it for specific RHS...
|
||||||
template<typename Variable, typename Target, typename Opt, typename RHS>
|
template <typename Variable, typename Target, typename Opt, typename RHS>
|
||||||
DISABLE_IF(arrays::is_scalar<RHS>) triqs_gf_view_assign_delegation( gf_view<Variable,Target,Opt> g, RHS const & rhs) {
|
DISABLE_IF(arrays::is_scalar<RHS>) triqs_gf_view_assign_delegation(gf_view<Variable, Target, Opt> g, RHS const &rhs) {
|
||||||
if (!(g.mesh() == rhs.mesh())) TRIQS_RUNTIME_ERROR<<"Gf Assignment in View : incompatible mesh"<<g.mesh() << " vs "<< rhs.mesh();
|
if (!(g.mesh() == rhs.mesh()))
|
||||||
for (auto const & w: g.mesh()) g[w] = rhs[w];
|
TRIQS_RUNTIME_ERROR << "Gf Assignment in View : incompatible mesh" << g.mesh() << " vs " << rhs.mesh();
|
||||||
g.singularity() = rhs.singularity();
|
for (auto const &w : g.mesh()) g[w] = rhs[w];
|
||||||
}
|
g.singularity() = rhs.singularity();
|
||||||
|
}
|
||||||
|
|
||||||
template<typename Variable, typename Target, typename Opt, typename T>
|
template <typename Variable, typename Target, typename Opt, typename T>
|
||||||
ENABLE_IF(arrays::is_scalar<T>) triqs_gf_view_assign_delegation( gf_view<Variable,Target,Opt> g, T const & x) {
|
ENABLE_IF(arrays::is_scalar<T>) triqs_gf_view_assign_delegation(gf_view<Variable, Target, Opt> g, T const &x) {
|
||||||
gf_view<Variable,Target,Opt>::data_proxy_t::assign_to_scalar(g.data(), x);
|
gf_view<Variable, Target, Opt>::data_proxy_t::assign_to_scalar(g.data(), x);
|
||||||
g.singularity() = x;
|
g.singularity() = x;
|
||||||
}
|
}
|
||||||
|
|
||||||
// tool for lazy transformation
|
// tool for lazy transformation
|
||||||
template <typename Tag, typename D, typename Target = matrix_valued, typename Opt=void> struct gf_keeper {
|
template <typename Tag, typename D, typename Target = matrix_valued, typename Opt = void> struct gf_keeper {
|
||||||
gf_const_view<D, Target, Opt> g;
|
gf_const_view<D, Target, Opt> g;
|
||||||
};
|
};
|
||||||
|
|
||||||
// ---------------------------------- slicing ------------------------------------
|
// ---------------------------------- slicing ------------------------------------
|
||||||
|
|
||||||
// slice
|
// slice
|
||||||
template <typename Variable, typename Target, typename Opt, bool IsConst, typename... Args>
|
template <typename Variable, typename Target, typename Opt, bool IsConst, typename... Args>
|
||||||
gf_view<Variable, matrix_valued, Opt, IsConst> slice_target(gf_view<Variable, Target, Opt, IsConst> g, Args &&... args) {
|
gf_view<Variable, matrix_valued, Opt, IsConst> slice_target(gf_view<Variable, Target, Opt, IsConst> g, Args &&... args) {
|
||||||
static_assert(std::is_same<Target, matrix_valued>::value, "slice_target only for matrix_valued GF's");
|
static_assert(std::is_same<Target, matrix_valued>::value, "slice_target only for matrix_valued GF's");
|
||||||
using arrays::range;
|
using arrays::range;
|
||||||
return {g.mesh(), g.data()(range(), std::forward<Args>(args)...),
|
return {g.mesh(), g.data()(range(), std::forward<Args>(args)...),
|
||||||
slice_target(g.singularity(), std::forward<Args>(args)...), g.symmetry()};
|
slice_target(g.singularity(), std::forward<Args>(args)...), g.symmetry()};
|
||||||
}
|
}
|
||||||
|
|
||||||
template <typename Variable, typename Target, typename Opt, typename... Args>
|
template <typename Variable, typename Target, typename Opt, typename... Args>
|
||||||
gf_view<Variable, matrix_valued, Opt> slice_target(gf<Variable, Target, Opt> &g, Args &&... args) {
|
gf_view<Variable, matrix_valued, Opt> slice_target(gf<Variable, Target, Opt> &g, Args &&... args) {
|
||||||
return slice_target(g(), std::forward<Args>(args)...);
|
return slice_target(g(), std::forward<Args>(args)...);
|
||||||
}
|
}
|
||||||
|
|
||||||
template <typename Variable, typename Target, typename Opt, typename... Args>
|
template <typename Variable, typename Target, typename Opt, typename... Args>
|
||||||
gf_const_view<Variable, matrix_valued, Opt> slice_target(gf<Variable, Target, Opt> const &g, Args &&... args) {
|
gf_const_view<Variable, matrix_valued, Opt> slice_target(gf<Variable, Target, Opt> const &g, Args &&... args) {
|
||||||
return slice_target(g(), std::forward<Args>(args)...);
|
return slice_target(g(), std::forward<Args>(args)...);
|
||||||
}
|
}
|
||||||
|
|
||||||
// slice to scalar
|
// slice to scalar
|
||||||
template <typename Variable, typename Target, typename Opt, bool IsConst, typename... Args>
|
template <typename Variable, typename Target, typename Opt, bool IsConst, typename... Args>
|
||||||
gf_view<Variable, scalar_valued, Opt, IsConst> slice_target_to_scalar(gf_view<Variable, Target, Opt, IsConst> g,
|
gf_view<Variable, scalar_valued, Opt, IsConst> slice_target_to_scalar(gf_view<Variable, Target, Opt, IsConst> g,
|
||||||
Args &&... args) {
|
Args &&... args) {
|
||||||
static_assert(std::is_same<Target, matrix_valued>::value, "slice_target only for matrix_valued GF's");
|
static_assert(std::is_same<Target, matrix_valued>::value, "slice_target only for matrix_valued GF's");
|
||||||
using arrays::range;
|
using arrays::range;
|
||||||
return {g.mesh(), g.data()(range(), std::forward<Args>(args)...),
|
return {g.mesh(), g.data()(range(), std::forward<Args>(args)...),
|
||||||
slice_target(g.singularity(), range(args, args + 1)...), g.symmetry()};
|
slice_target(g.singularity(), range(args, args + 1)...), g.symmetry()};
|
||||||
}
|
}
|
||||||
|
|
||||||
template <typename Variable, typename Target, typename Opt, typename... Args>
|
template <typename Variable, typename Target, typename Opt, typename... Args>
|
||||||
gf_view<Variable, scalar_valued, Opt> slice_target_to_scalar(gf<Variable, Target, Opt> &g, Args &&... args) {
|
gf_view<Variable, scalar_valued, Opt> slice_target_to_scalar(gf<Variable, Target, Opt> &g, Args &&... args) {
|
||||||
return slice_target_to_scalar(g(), std::forward<Args>(args)...);
|
return slice_target_to_scalar(g(), std::forward<Args>(args)...);
|
||||||
}
|
}
|
||||||
|
|
||||||
template <typename Variable, typename Target, typename Opt, typename... Args>
|
template <typename Variable, typename Target, typename Opt, typename... Args>
|
||||||
gf_const_view<Variable, scalar_valued, Opt> slice_target_to_scalar(gf<Variable, Target, Opt> const &g, Args &&... args) {
|
gf_const_view<Variable, scalar_valued, Opt> slice_target_to_scalar(gf<Variable, Target, Opt> const &g, Args &&... args) {
|
||||||
return slice_target_to_scalar(g(), std::forward<Args>(args)...);
|
return slice_target_to_scalar(g(), std::forward<Args>(args)...);
|
||||||
}
|
}
|
||||||
|
|
||||||
// a scalar_valued gf can be viewed as a 1x1 matrix
|
// ---------------------------------- target reinterpretation ------------------------------------
|
||||||
template <typename Variable, typename Opt, bool IsConst>
|
|
||||||
gf_view<Variable, matrix_valued, Opt, IsConst>
|
// a scalar_valued gf can be viewed as a 1x1 matrix
|
||||||
reinterpret_scalar_valued_gf_as_matrix_valued(gf_view<Variable, scalar_valued, Opt, IsConst> g) {
|
template <typename Variable, typename Opt, bool IsConst>
|
||||||
typedef typename gf_view<Variable, matrix_valued, Opt, IsConst>::data_view_t a_t;
|
gf_view<Variable, matrix_valued, Opt, IsConst>
|
||||||
auto a = a_t{typename a_t::indexmap_type(join(g.data().shape(), make_shape(1, 1))), g.data().storage()};
|
reinterpret_scalar_valued_gf_as_matrix_valued(gf_view<Variable, scalar_valued, Opt, IsConst> g) {
|
||||||
return {g.mesh(), a, g.singularity(), g.symmetry()};
|
using a_t = typename gf_view<Variable, matrix_valued, Opt, IsConst>::data_view_t;
|
||||||
}
|
auto a = a_t{typename a_t::indexmap_type(join(g.data().shape(), make_shape(1, 1))), g.data().storage()};
|
||||||
|
return {g.mesh(), a, g.singularity(), g.symmetry()};
|
||||||
|
}
|
||||||
|
|
||||||
template <typename Variable, typename Opt>
|
template <typename Variable, typename Opt>
|
||||||
gf_view<Variable, matrix_valued, Opt> reinterpret_scalar_valued_gf_as_matrix_valued(gf<Variable, scalar_valued, Opt> &g) {
|
gf_view<Variable, matrix_valued, Opt> reinterpret_scalar_valued_gf_as_matrix_valued(gf<Variable, scalar_valued, Opt> &g) {
|
||||||
return reinterpret_scalar_valued_gf_as_matrix_valued(g());
|
return reinterpret_scalar_valued_gf_as_matrix_valued(g());
|
||||||
}
|
}
|
||||||
|
|
||||||
template <typename Variable, typename Opt>
|
template <typename Variable, typename Opt>
|
||||||
gf_const_view<Variable, matrix_valued, Opt>
|
gf_const_view<Variable, matrix_valued, Opt>
|
||||||
reinterpret_scalar_valued_gf_as_matrix_valued(gf<Variable, scalar_valued, Opt> const &g) {
|
reinterpret_scalar_valued_gf_as_matrix_valued(gf<Variable, scalar_valued, Opt> const &g) {
|
||||||
return reinterpret_scalar_valued_gf_as_matrix_valued(g());
|
return reinterpret_scalar_valued_gf_as_matrix_valued(g());
|
||||||
}
|
}
|
||||||
|
|
||||||
/*
|
/*
|
||||||
template<typename Variable1,typename Variable2, typename Target, typename Opt, bool V, typename... Args>
|
template<typename Variable1,typename Variable2, typename Target, typename Opt, bool V, typename... Args>
|
||||||
gf_view<Variable2,Target,Opt> slice_mesh (gf_impl<Variable1,Target,Opt,V> const & g, Args... args) {
|
gf_view<Variable2,Target,Opt> slice_mesh (gf_impl<Variable1,Target,Opt,V> const & g, Args... args) {
|
||||||
return gf_view<Variable2,Target,Opt>(g.mesh().slice(args...), g.data()(g.mesh().slice_get_range(args...),arrays::ellipsis()), g.singularity(), g.symmetry());
|
return gf_view<Variable2,Target,Opt>(g.mesh().slice(args...), g.data()(g.mesh().slice_get_range(args...),arrays::ellipsis()),
|
||||||
|
g.singularity(), g.symmetry());
|
||||||
}*/
|
}*/
|
||||||
|
|
||||||
namespace gfs_implementation { // implement some default traits
|
namespace gfs_implementation { // implement some default traits
|
||||||
@ -578,9 +603,9 @@ namespace triqs { namespace gfs {
|
|||||||
|
|
||||||
// ----- tensor_valued
|
// ----- tensor_valued
|
||||||
template <int R, typename Var, typename Opt> struct factories<Var, tensor_valued<R>, Opt> {
|
template <int R, typename Var, typename Opt> struct factories<Var, tensor_valued<R>, Opt> {
|
||||||
typedef gf<Var, tensor_valued<R>, Opt> gf_t;
|
using gf_t = gf<Var, tensor_valued<R>, Opt>;
|
||||||
typedef tqa::mini_vector<size_t, R> target_shape_t;
|
using target_shape_t = arrays::mini_vector<size_t, R>;
|
||||||
typedef typename gf_t::mesh_t mesh_t;
|
using mesh_t = typename gf_t::mesh_t;
|
||||||
|
|
||||||
static typename gf_t::data_t make_data(mesh_t const &m, target_shape_t shape) {
|
static typename gf_t::data_t make_data(mesh_t const &m, target_shape_t shape) {
|
||||||
typename gf_t::data_t A(shape.front_append(m.size()));
|
typename gf_t::data_t A(shape.front_append(m.size()));
|
||||||
@ -595,9 +620,9 @@ namespace triqs { namespace gfs {
|
|||||||
|
|
||||||
// ----- matrix_valued
|
// ----- matrix_valued
|
||||||
template <typename Var, typename Opt> struct factories<Var, matrix_valued, Opt> {
|
template <typename Var, typename Opt> struct factories<Var, matrix_valued, Opt> {
|
||||||
typedef gf<Var, matrix_valued, Opt> gf_t;
|
using gf_t = gf<Var, matrix_valued, Opt>;
|
||||||
typedef tqa::mini_vector<size_t, 2> target_shape_t;
|
using target_shape_t = arrays::mini_vector<size_t, 2>;
|
||||||
typedef typename gf_t::mesh_t mesh_t;
|
using mesh_t = typename gf_t::mesh_t;
|
||||||
|
|
||||||
static typename gf_t::data_t make_data(mesh_t const &m, target_shape_t shape) {
|
static typename gf_t::data_t make_data(mesh_t const &m, target_shape_t shape) {
|
||||||
typename gf_t::data_t A(shape.front_append(m.size()));
|
typename gf_t::data_t A(shape.front_append(m.size()));
|
||||||
@ -612,7 +637,7 @@ namespace triqs { namespace gfs {
|
|||||||
|
|
||||||
// ----- scalar_valued
|
// ----- scalar_valued
|
||||||
template <typename Var, typename Opt> struct factories<Var, scalar_valued, Opt> {
|
template <typename Var, typename Opt> struct factories<Var, scalar_valued, Opt> {
|
||||||
typedef gf<Var, scalar_valued, Opt> gf_t;
|
using gf_t = gf<Var, scalar_valued, Opt>;
|
||||||
struct target_shape_t {
|
struct target_shape_t {
|
||||||
target_shape_t front_pop() const { // this make the get_target_shape function works in this case...
|
target_shape_t front_pop() const { // this make the get_target_shape function works in this case...
|
||||||
return {};
|
return {};
|
||||||
@ -620,8 +645,8 @@ namespace triqs { namespace gfs {
|
|||||||
target_shape_t() = default;
|
target_shape_t() = default;
|
||||||
template <typename T> target_shape_t(utility::mini_vector<T, 0>) {}
|
template <typename T> target_shape_t(utility::mini_vector<T, 0>) {}
|
||||||
};
|
};
|
||||||
|
|
||||||
typedef typename gf_t::mesh_t mesh_t;
|
using mesh_t = typename gf_t::mesh_t;
|
||||||
|
|
||||||
static typename gf_t::data_t make_data(mesh_t const &m, target_shape_t shape) {
|
static typename gf_t::data_t make_data(mesh_t const &m, target_shape_t shape) {
|
||||||
typename gf_t::data_t A(m.size());
|
typename gf_t::data_t A(m.size());
|
||||||
@ -633,7 +658,7 @@ namespace triqs { namespace gfs {
|
|||||||
}
|
}
|
||||||
};
|
};
|
||||||
|
|
||||||
// --------------------- hdf5 ---------------------------------------
|
// --------------------- hdf5 ---------------------------------------
|
||||||
// scalar function : just add a _s
|
// scalar function : just add a _s
|
||||||
template <typename Variable, typename Opt> struct h5_name<Variable, scalar_valued, Opt> {
|
template <typename Variable, typename Opt> struct h5_name<Variable, scalar_valued, Opt> {
|
||||||
static std::string invoke() { return h5_name<Variable, matrix_valued, Opt>::invoke() + "_s"; }
|
static std::string invoke() { return h5_name<Variable, matrix_valued, Opt>::invoke() + "_s"; }
|
||||||
@ -657,14 +682,12 @@ namespace triqs { namespace gfs {
|
|||||||
}
|
}
|
||||||
};
|
};
|
||||||
} // gfs_implementation
|
} // gfs_implementation
|
||||||
|
}
|
||||||
|
}
|
||||||
}}
|
|
||||||
|
|
||||||
// same as for arrays : views can not be swapped by the std::swap. Delete it
|
// same as for arrays : views can not be swapped by the std::swap. Delete it
|
||||||
namespace std {
|
namespace std {
|
||||||
template <typename Variable, typename Target, typename Opt, bool C1, bool C2>
|
template <typename Variable, typename Target, typename Opt, bool C1, bool C2>
|
||||||
void swap(triqs::gfs::gf_view<Variable, Target, Opt, C1> &a, triqs::gfs::gf_view<Variable, Target, Opt, C2> &b) = delete;
|
void swap(triqs::gfs::gf_view<Variable, Target, Opt, C1> &a, triqs::gfs::gf_view<Variable, Target, Opt, C2> &b) = delete;
|
||||||
}
|
}
|
||||||
#include "./gf_expr.hpp"
|
#include "./gf_expr.hpp"
|
||||||
#endif
|
|
||||||
|
@ -2,7 +2,7 @@
|
|||||||
*
|
*
|
||||||
* TRIQS: a Toolbox for Research in Interacting Quantum Systems
|
* TRIQS: a Toolbox for Research in Interacting Quantum Systems
|
||||||
*
|
*
|
||||||
* Copyright (C) 2012 by M. Ferrero, O. Parcollet
|
* Copyright (C) 2012-2013 by O. Parcollet
|
||||||
*
|
*
|
||||||
* TRIQS is free software: you can redistribute it and/or modify it under the
|
* TRIQS is free software: you can redistribute it and/or modify it under the
|
||||||
* terms of the GNU General Public License as published by the Free Software
|
* terms of the GNU General Public License as published by the Free Software
|
||||||
@ -18,8 +18,7 @@
|
|||||||
* TRIQS. If not, see <http://www.gnu.org/licenses/>.
|
* TRIQS. If not, see <http://www.gnu.org/licenses/>.
|
||||||
*
|
*
|
||||||
******************************************************************************/
|
******************************************************************************/
|
||||||
#ifndef TRIQS_GF_MATSUBARA_FREQ_H
|
#pragma once
|
||||||
#define TRIQS_GF_MATSUBARA_FREQ_H
|
|
||||||
#include "./tools.hpp"
|
#include "./tools.hpp"
|
||||||
#include "./gf.hpp"
|
#include "./gf.hpp"
|
||||||
#include "./local/tail.hpp"
|
#include "./local/tail.hpp"
|
||||||
@ -32,22 +31,18 @@ namespace gfs {
|
|||||||
struct imfreq {};
|
struct imfreq {};
|
||||||
|
|
||||||
template <typename Opt> struct gf_mesh<imfreq, Opt> : matsubara_freq_mesh {
|
template <typename Opt> struct gf_mesh<imfreq, Opt> : matsubara_freq_mesh {
|
||||||
using B = matsubara_freq_mesh;
|
template <typename... T> gf_mesh(T &&... x) : matsubara_freq_mesh(std::forward<T>(x)...) {}
|
||||||
static double m1(double beta) { return std::acos(-1) / beta; }
|
//using matsubara_freq_mesh::matsubara_freq_mesh;
|
||||||
gf_mesh() = default;
|
|
||||||
gf_mesh(B const &x) : B(x) {} // enables also construction from another Opt
|
|
||||||
gf_mesh(typename B::domain_t const &d, int Nmax = 1025, bool positive_only = true) : B(d, Nmax, positive_only) {}
|
|
||||||
gf_mesh(double beta, statistic_enum S, int Nmax = 1025) : gf_mesh({beta, S}, Nmax) {}
|
|
||||||
};
|
};
|
||||||
|
|
||||||
namespace gfs_implementation {
|
namespace gfs_implementation {
|
||||||
|
|
||||||
// singularity
|
// singularity
|
||||||
template <> struct singularity<imfreq, matrix_valued, void> {
|
template <> struct singularity<imfreq, matrix_valued, void> {
|
||||||
typedef local::tail type;
|
using type = local::tail;
|
||||||
};
|
};
|
||||||
template <> struct singularity<imfreq, scalar_valued, void> {
|
template <> struct singularity<imfreq, scalar_valued, void> {
|
||||||
typedef local::tail type;
|
using type = local::tail;
|
||||||
};
|
};
|
||||||
|
|
||||||
// h5 name
|
// h5 name
|
||||||
@ -124,10 +119,13 @@ namespace gfs {
|
|||||||
|
|
||||||
#ifdef __clang__
|
#ifdef __clang__
|
||||||
// to generate a clearer error message ? . Only ok on clang ?
|
// to generate a clearer error message ? . Only ok on clang ?
|
||||||
template<int n> struct error { static_assert(n>0, "Green function can not be evaluated on a complex number !");};
|
template <int n> struct error {
|
||||||
|
static_assert(n > 0, "Green function can not be evaluated on a complex number !");
|
||||||
|
};
|
||||||
|
|
||||||
template <typename G>
|
template <typename G> error<0> operator()(G const *g, std::complex<double>) const {
|
||||||
error<0> operator()(G const *g, std::complex<double>) const { return {};}
|
return {};
|
||||||
|
}
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
template <typename G> typename G::singularity_t const &operator()(G const *g, freq_infty const &) const {
|
template <typename G> typename G::singularity_t const &operator()(G const *g, freq_infty const &) const {
|
||||||
@ -142,4 +140,3 @@ namespace gfs {
|
|||||||
} // gfs_implementation
|
} // gfs_implementation
|
||||||
}
|
}
|
||||||
}
|
}
|
||||||
#endif
|
|
||||||
|
@ -2,7 +2,7 @@
|
|||||||
*
|
*
|
||||||
* TRIQS: a Toolbox for Research in Interacting Quantum Systems
|
* TRIQS: a Toolbox for Research in Interacting Quantum Systems
|
||||||
*
|
*
|
||||||
* Copyright (C) 2012 by M. Ferrero, O. Parcollet
|
* Copyright (C) 2012-2013 by O. Parcollet
|
||||||
*
|
*
|
||||||
* TRIQS is free software: you can redistribute it and/or modify it under the
|
* TRIQS is free software: you can redistribute it and/or modify it under the
|
||||||
* terms of the GNU General Public License as published by the Free Software
|
* terms of the GNU General Public License as published by the Free Software
|
||||||
@ -18,83 +18,89 @@
|
|||||||
* TRIQS. If not, see <http://www.gnu.org/licenses/>.
|
* TRIQS. If not, see <http://www.gnu.org/licenses/>.
|
||||||
*
|
*
|
||||||
******************************************************************************/
|
******************************************************************************/
|
||||||
#ifndef TRIQS_GF_MATSUBARA_TIME_H
|
#pragma once
|
||||||
#define TRIQS_GF_MATSUBARA_TIME_H
|
|
||||||
#include "./tools.hpp"
|
#include "./tools.hpp"
|
||||||
#include "./gf.hpp"
|
#include "./gf.hpp"
|
||||||
#include "./local/tail.hpp"
|
#include "./local/tail.hpp"
|
||||||
#include "./local/no_tail.hpp"
|
#include "./local/no_tail.hpp"
|
||||||
#include "./domains/matsubara.hpp"
|
#include "./domains/matsubara.hpp"
|
||||||
#include "./meshes/linear.hpp"
|
#include "./meshes/matsubara_time.hpp"
|
||||||
#include "./evaluators.hpp"
|
#include "./evaluators.hpp"
|
||||||
|
|
||||||
namespace triqs { namespace gfs {
|
namespace triqs {
|
||||||
|
namespace gfs {
|
||||||
|
|
||||||
struct imtime {};
|
struct imtime {};
|
||||||
|
|
||||||
// gf_mesh type and its factories
|
template <typename Opt> struct gf_mesh<imtime, Opt> : matsubara_time_mesh {
|
||||||
template <typename Opt> struct gf_mesh<imtime, Opt> : linear_mesh<matsubara_domain<false>> {
|
template <typename... T> gf_mesh(T &&... x) : matsubara_time_mesh(std::forward<T>(x)...) {}
|
||||||
typedef linear_mesh<matsubara_domain<false>> B;
|
// using matsubara_time_mesh::matsubara_time_mesh;
|
||||||
gf_mesh() = default;
|
|
||||||
gf_mesh(B const &x) : B(x) {} // enables also construction from another Opt
|
|
||||||
gf_mesh(typename B::domain_t d, int n_time_slices, mesh_kind mk = half_bins) : B(d, 0, d.beta, n_time_slices, mk) {}
|
|
||||||
gf_mesh(double beta, statistic_enum S, int n_time_slices, mesh_kind mk = half_bins) : gf_mesh({beta, S}, n_time_slices, mk) {}
|
|
||||||
};
|
};
|
||||||
|
|
||||||
namespace gfs_implementation {
|
namespace gfs_implementation {
|
||||||
|
|
||||||
// singularity. If no_tail is given, then it is the default (nothing)
|
// singularity. If no_tail is given, then it is the default (nothing)
|
||||||
template<> struct singularity<imtime,matrix_valued,void> { typedef local::tail type;};
|
template <> struct singularity<imtime, matrix_valued, void> {
|
||||||
template<> struct singularity<imtime,scalar_valued,void> { typedef local::tail type;};
|
using type = local::tail;
|
||||||
|
};
|
||||||
|
template <> struct singularity<imtime, scalar_valued, void> {
|
||||||
|
using type = local::tail;
|
||||||
|
};
|
||||||
|
|
||||||
// h5 name
|
// h5 name
|
||||||
template<typename Opt> struct h5_name<imtime,matrix_valued,Opt> { static std::string invoke(){ return "ImTime";}};
|
template <typename Opt> struct h5_name<imtime, matrix_valued, Opt> {
|
||||||
|
static std::string invoke() { return "ImTime"; }
|
||||||
|
};
|
||||||
|
|
||||||
/// --------------------------- data access ---------------------------------
|
/// --------------------------- data access ---------------------------------
|
||||||
|
|
||||||
template<typename Opt> struct data_proxy<imtime,matrix_valued,Opt> : data_proxy_array<double,3> {};
|
template <typename Opt> struct data_proxy<imtime, matrix_valued, Opt> : data_proxy_array<double, 3> {};
|
||||||
template<typename Opt> struct data_proxy<imtime,scalar_valued,Opt> : data_proxy_array<double,1> {};
|
template <typename Opt> struct data_proxy<imtime, scalar_valued, Opt> : data_proxy_array<double, 1> {};
|
||||||
|
|
||||||
/// --------------------------- closest mesh point on the grid ---------------------------------
|
/// --------------------------- closest mesh point on the grid ---------------------------------
|
||||||
|
|
||||||
template<typename Opt, typename Target>
|
template <typename Opt, typename Target> struct get_closest_point<imtime, Target, Opt> {
|
||||||
struct get_closest_point <imtime,Target,Opt> {
|
// index_t is int
|
||||||
// index_t is int
|
template <typename G, typename T> static int invoke(G const *g, closest_pt_wrap<T> const &p) {
|
||||||
template<typename G, typename T>
|
double x = (g->mesh().kind() == half_bins ? double(p.value) : double(p.value) + 0.5 * g->mesh().delta());
|
||||||
static int invoke(G const * g, closest_pt_wrap<T> const & p) {
|
int n = std::floor(x / g->mesh().delta());
|
||||||
double x = (g->mesh().kind()==half_bins ? double(p.value) : double(p.value)+ 0.5*g->mesh().delta());
|
return n;
|
||||||
int n = std::floor(x/g->mesh().delta());
|
}
|
||||||
return n;
|
};
|
||||||
}
|
|
||||||
};
|
|
||||||
|
|
||||||
/// --------------------------- evaluator ---------------------------------
|
/// --------------------------- evaluator ---------------------------------
|
||||||
|
|
||||||
// this one is specific because of the beta-antiperiodicity for fermions
|
// this one is specific because of the beta-antiperiodicity for fermions
|
||||||
template<>
|
template <> struct evaluator_fnt_on_mesh<imtime> {
|
||||||
struct evaluator_fnt_on_mesh<imtime> {
|
double w1, w2;
|
||||||
double w1, w2; long n;
|
long n;
|
||||||
|
|
||||||
evaluator_fnt_on_mesh() = default;
|
evaluator_fnt_on_mesh() = default;
|
||||||
|
|
||||||
evaluator_fnt_on_mesh (gf_mesh<imtime> const & m, double tau) {
|
evaluator_fnt_on_mesh(gf_mesh<imtime> const &m, double tau) {
|
||||||
double beta = m.domain().beta;
|
double beta = m.domain().beta;
|
||||||
int p = std::floor(tau/beta);
|
int p = std::floor(tau / beta);
|
||||||
tau -= p*beta;
|
tau -= p * beta;
|
||||||
double w; bool in;
|
double w;
|
||||||
std::tie(in, n, w) = windowing(m,tau);
|
bool in;
|
||||||
if (!in) TRIQS_RUNTIME_ERROR <<" Evaluation out of bounds";
|
std::tie(in, n, w) = windowing(m, tau);
|
||||||
if ((m.domain().statistic == Fermion) && (p%2==1)) {w2 = -w; w1 = w-1;} else { w2 = w; w1 = 1-w;}
|
if (!in) TRIQS_RUNTIME_ERROR << " Evaluation out of bounds";
|
||||||
|
if ((m.domain().statistic == Fermion) && (p % 2 == 1)) {
|
||||||
|
w2 = -w;
|
||||||
|
w1 = w - 1;
|
||||||
|
} else {
|
||||||
|
w2 = w;
|
||||||
|
w1 = 1 - w;
|
||||||
}
|
}
|
||||||
|
}
|
||||||
|
|
||||||
template<typename F> auto operator()(F const & f) const DECL_AND_RETURN(w1 * f(n) + w2 * f (n+1));
|
template <typename F> auto operator()(F const &f) const DECL_AND_RETURN(w1 *f(n) + w2 *f(n + 1));
|
||||||
};
|
};
|
||||||
|
|
||||||
// now evaluator
|
// now evaluator
|
||||||
template<typename Opt, typename Target> struct evaluator<imtime,Target,Opt> : evaluator_one_var<imtime>{};
|
template <typename Opt, typename Target> struct evaluator<imtime, Target, Opt> : evaluator_one_var<imtime> {};
|
||||||
|
|
||||||
} // gfs_implementation.
|
} // gfs_implementation.
|
||||||
|
}
|
||||||
}}
|
}
|
||||||
#endif
|
|
||||||
|
|
||||||
|
@ -32,7 +32,7 @@ namespace gfs {
|
|||||||
|
|
||||||
struct impl_worker {
|
struct impl_worker {
|
||||||
|
|
||||||
tqa::vector<dcomplex> g_in, g_out;
|
arrays::vector<dcomplex> g_in, g_out;
|
||||||
|
|
||||||
dcomplex oneFermion(dcomplex a, double b, double tau, double beta) {
|
dcomplex oneFermion(dcomplex a, double b, double tau, double beta) {
|
||||||
return -a * (b >= 0 ? exp(-b * tau) / (1 + exp(-beta * b)) : exp(b * (beta - tau)) / (1 + exp(beta * b)));
|
return -a * (b >= 0 ? exp(-b * tau) / (1 + exp(-beta * b)) : exp(b * (beta - tau)) / (1 + exp(beta * b)));
|
||||||
|
@ -44,8 +44,10 @@ namespace gfs {
|
|||||||
void triqs_gf_view_assign_delegation(gf_view<imtime, matrix_valued> g, gf_keeper<tags::fourier, imfreq, matrix_valued> const& L);
|
void triqs_gf_view_assign_delegation(gf_view<imtime, matrix_valued> g, gf_keeper<tags::fourier, imfreq, matrix_valued> const& L);
|
||||||
|
|
||||||
// The version without tail : only possible in one direction
|
// The version without tail : only possible in one direction
|
||||||
void triqs_gf_view_assign_delegation(gf_view<imfreq, scalar_valued, no_tail> g, gf_keeper<tags::fourier, imtime, scalar_valued, no_tail> const& L);
|
void triqs_gf_view_assign_delegation(gf_view<imfreq, scalar_valued, no_tail> g,
|
||||||
void triqs_gf_view_assign_delegation(gf_view<imfreq, matrix_valued, no_tail> g, gf_keeper<tags::fourier, imtime, matrix_valued, no_tail> const& L);
|
gf_keeper<tags::fourier, imtime, scalar_valued, no_tail> const& L);
|
||||||
|
void triqs_gf_view_assign_delegation(gf_view<imfreq, matrix_valued, no_tail> g,
|
||||||
|
gf_keeper<tags::fourier, imtime, matrix_valued, no_tail> const& L);
|
||||||
|
|
||||||
template <typename Opt> gf_mesh<imfreq, Opt> make_mesh_fourier_compatible(gf_mesh<imtime, Opt> const& m) {
|
template <typename Opt> gf_mesh<imfreq, Opt> make_mesh_fourier_compatible(gf_mesh<imtime, Opt> const& m) {
|
||||||
int L = m.size() - (m.kind() == full_bins ? 1 : 0);
|
int L = m.size() - (m.kind() == full_bins ? 1 : 0);
|
||||||
@ -59,23 +61,20 @@ namespace gfs {
|
|||||||
}
|
}
|
||||||
|
|
||||||
template <typename Target, typename Opt, bool V, bool C>
|
template <typename Target, typename Opt, bool V, bool C>
|
||||||
gf_view<imfreq, Target, Opt> make_gf_from_fourier(gf_impl<imtime, Target, Opt, V, C> const& gt) {
|
gf<imfreq, Target, Opt> make_gf_from_fourier(gf_impl<imtime, Target, Opt, V, C> const& gt) {
|
||||||
auto gw = gf<imfreq, Target, Opt>{make_mesh_fourier_compatible(gt.mesh()), get_target_shape(gt)};
|
auto gw = gf<imfreq, Target, Opt>{make_mesh_fourier_compatible(gt.mesh()), get_target_shape(gt)};
|
||||||
gw() = fourier(gt);
|
gw() = fourier(gt);
|
||||||
return gw;
|
return gw;
|
||||||
}
|
}
|
||||||
|
|
||||||
template <typename Target, typename Opt, bool V, bool C>
|
template <typename Target, typename Opt, bool V, bool C>
|
||||||
gf_view<imtime, Target, Opt> make_gf_from_inverse_fourier(gf_impl<imfreq, Target, Opt, V, C> const& gw,
|
gf<imtime, Target, Opt> make_gf_from_inverse_fourier(gf_impl<imfreq, Target, Opt, V, C> const& gw, mesh_kind mk = full_bins) {
|
||||||
mesh_kind mk = full_bins) {
|
|
||||||
auto gt = gf<imtime, Target, Opt>{make_mesh_fourier_compatible(gw.mesh(), mk), get_target_shape(gw)};
|
auto gt = gf<imtime, Target, Opt>{make_mesh_fourier_compatible(gw.mesh(), mk), get_target_shape(gw)};
|
||||||
gt() = inverse_fourier(gw);
|
gt() = inverse_fourier(gw);
|
||||||
return gt;
|
return gt;
|
||||||
}
|
}
|
||||||
}
|
}
|
||||||
}
|
|
||||||
|
|
||||||
namespace triqs {
|
|
||||||
namespace clef {
|
namespace clef {
|
||||||
TRIQS_CLEF_MAKE_FNT_LAZY(fourier);
|
TRIQS_CLEF_MAKE_FNT_LAZY(fourier);
|
||||||
TRIQS_CLEF_MAKE_FNT_LAZY(inverse_fourier);
|
TRIQS_CLEF_MAKE_FNT_LAZY(inverse_fourier);
|
||||||
|
@ -35,7 +35,7 @@ namespace triqs { namespace gfs {
|
|||||||
|
|
||||||
struct impl_worker {
|
struct impl_worker {
|
||||||
|
|
||||||
tqa::vector<dcomplex> g_in, g_out;
|
arrays::vector<dcomplex> g_in, g_out;
|
||||||
|
|
||||||
void direct (gf_view<refreq,scalar_valued> gw, gf_const_view<retime,scalar_valued> gt){
|
void direct (gf_view<refreq,scalar_valued> gw, gf_const_view<retime,scalar_valued> gt){
|
||||||
|
|
||||||
@ -83,7 +83,7 @@ namespace triqs { namespace gfs {
|
|||||||
const double a = gw.mesh().delta() * sqrt( double(L) );
|
const double a = gw.mesh().delta() * sqrt( double(L) );
|
||||||
|
|
||||||
auto ta = gw(freq_infty());
|
auto ta = gw(freq_infty());
|
||||||
tqa::vector<dcomplex> g_in(L), g_out(L);
|
arrays::vector<dcomplex> g_in(L), g_out(L);
|
||||||
|
|
||||||
dcomplex t1 = ta(1)(0,0), t2 = ta.get_or_zero(2)(0,0);
|
dcomplex t1 = ta(1)(0,0), t2 = ta.get_or_zero(2)(0,0);
|
||||||
dcomplex a1 = (t1 + I * t2/a )/2., a2 = (t1 - I * t2/a )/2.;
|
dcomplex a1 = (t1 + I * t2/a )/2., a2 = (t1 - I * t2/a )/2.;
|
||||||
|
@ -24,20 +24,20 @@
|
|||||||
namespace triqs { namespace gfs {
|
namespace triqs { namespace gfs {
|
||||||
|
|
||||||
dcomplex F(dcomplex a,double b,double Beta) {return -a/(1+exp(-Beta*b));}
|
dcomplex F(dcomplex a,double b,double Beta) {return -a/(1+exp(-Beta*b));}
|
||||||
using tqa::array;
|
using arrays::array;
|
||||||
|
|
||||||
//-------------------------------------------------------
|
//-------------------------------------------------------
|
||||||
// For Imaginary Matsubara Frequency functions
|
// For Imaginary Matsubara Frequency functions
|
||||||
// ------------------------------------------------------
|
// ------------------------------------------------------
|
||||||
tqa::matrix<double> density( gf_view<imfreq> const & G) {
|
arrays::matrix<double> density( gf_view<imfreq> const & G) {
|
||||||
dcomplex I(0,1);
|
dcomplex I(0,1);
|
||||||
auto sh = G.data().shape().front_pop();
|
auto sh = G.data().shape().front_pop();
|
||||||
auto Beta = G.domain().beta;
|
auto Beta = G.domain().beta;
|
||||||
local::tail_view t = G(freq_infty());
|
local::tail_view t = G(freq_infty());
|
||||||
if (!t.is_decreasing_at_infinity()) TRIQS_RUNTIME_ERROR<<" density computation : Green Function is not as 1/omega or less !!!";
|
if (!t.is_decreasing_at_infinity()) TRIQS_RUNTIME_ERROR<<" density computation : Green Function is not as 1/omega or less !!!";
|
||||||
const size_t N1=sh[0], N2 = sh[1];
|
const size_t N1=sh[0], N2 = sh[1];
|
||||||
tqa::array<dcomplex,2> dens_part(sh), dens_tail(sh), dens(sh);
|
arrays::array<dcomplex,2> dens_part(sh), dens_tail(sh), dens(sh);
|
||||||
tqa::matrix<double> res(sh);
|
arrays::matrix<double> res(sh);
|
||||||
dens_part()=0;dens()=0;dens_tail()=0;
|
dens_part()=0;dens()=0;dens_tail()=0;
|
||||||
for (size_t n1=0; n1<N1;n1++)
|
for (size_t n1=0; n1<N1;n1++)
|
||||||
for (size_t n2=0; n2<N2;n2++) {
|
for (size_t n2=0; n2<N2;n2++) {
|
||||||
@ -70,10 +70,10 @@ namespace triqs { namespace gfs {
|
|||||||
}
|
}
|
||||||
|
|
||||||
|
|
||||||
tqa::matrix<double> density( gf_view<legendre> const & gl) {
|
arrays::matrix<double> density( gf_view<legendre> const & gl) {
|
||||||
|
|
||||||
auto sh = gl.data().shape().front_pop();
|
auto sh = gl.data().shape().front_pop();
|
||||||
tqa::matrix<double> res(sh);
|
arrays::matrix<double> res(sh);
|
||||||
res() = 0.0;
|
res() = 0.0;
|
||||||
|
|
||||||
for (auto l : gl.mesh()) {
|
for (auto l : gl.mesh()) {
|
||||||
@ -102,21 +102,21 @@ namespace triqs { namespace gfs {
|
|||||||
}
|
}
|
||||||
|
|
||||||
// Impose a discontinuity G(\tau=0)-G(\tau=\beta)
|
// Impose a discontinuity G(\tau=0)-G(\tau=\beta)
|
||||||
void enforce_discontinuity(gf_view<legendre> & gl, tqa::array_view<double,2> disc) {
|
void enforce_discontinuity(gf_view<legendre> & gl, arrays::array_view<double,2> disc) {
|
||||||
|
|
||||||
double norm = 0.0;
|
double norm = 0.0;
|
||||||
tqa::vector<double> t(gl.data().shape()[0]);
|
arrays::vector<double> t(gl.data().shape()[0]);
|
||||||
for (int i=0; i<t.size(); ++i) {
|
for (int i=0; i<t.size(); ++i) {
|
||||||
t(i) = triqs::utility::legendre_t(i,1) / gl.domain().beta;
|
t(i) = triqs::utility::legendre_t(i,1) / gl.domain().beta;
|
||||||
norm += t(i)*t(i);
|
norm += t(i)*t(i);
|
||||||
}
|
}
|
||||||
|
|
||||||
tqa::array<double,2> corr(disc.shape()); corr() = 0;
|
arrays::array<double,2> corr(disc.shape()); corr() = 0;
|
||||||
for (auto l : gl.mesh()) {
|
for (auto l : gl.mesh()) {
|
||||||
corr += t(l.index()) * gl[l];
|
corr += t(l.index()) * gl[l];
|
||||||
}
|
}
|
||||||
|
|
||||||
tqa::range R;
|
arrays::range R;
|
||||||
for (auto l : gl.mesh()) {
|
for (auto l : gl.mesh()) {
|
||||||
gl.data()(l.index(),R,R) += (disc - corr) * t(l.index()) / norm;
|
gl.data()(l.index(),R,R) += (disc - corr) * t(l.index()) / norm;
|
||||||
}
|
}
|
||||||
|
@ -32,9 +32,9 @@ namespace triqs {
|
|||||||
// For Imaginary Matsubara Frequency functions
|
// For Imaginary Matsubara Frequency functions
|
||||||
// ------------------------------------------------------
|
// ------------------------------------------------------
|
||||||
|
|
||||||
tqa::matrix<double> density(gf_view<imfreq> const & g);
|
arrays::matrix<double> density(gf_view<imfreq> const & g);
|
||||||
|
|
||||||
tqa::matrix<double> density(gf_view<legendre> const & g);
|
arrays::matrix<double> density(gf_view<legendre> const & g);
|
||||||
|
|
||||||
local::tail_view get_tail(gf_const_view<legendre> gl, int size, int omin);
|
local::tail_view get_tail(gf_const_view<legendre> gl, int size, int omin);
|
||||||
|
|
||||||
@ -43,7 +43,7 @@ namespace triqs {
|
|||||||
// For anything that has the ImmutableGfMatsubaraFreq concept, create such a function and compute
|
// For anything that has the ImmutableGfMatsubaraFreq concept, create such a function and compute
|
||||||
// Here I choose to create G and call the function to avoid creating one code for each expression...
|
// Here I choose to create G and call the function to avoid creating one code for each expression...
|
||||||
//template<typename GfType>
|
//template<typename GfType>
|
||||||
//TYPE_ENABLE_IF (tqa::matrix<double>, ImmutableGfMatsubaraFreq<GfType>)
|
//TYPE_ENABLE_IF (arrays::matrix<double>, ImmutableGfMatsubaraFreq<GfType>)
|
||||||
//density( GfType const & G) { return density( gf_view<imfreq>(G));}
|
//density( GfType const & G) { return density( gf_view<imfreq>(G));}
|
||||||
|
|
||||||
}
|
}
|
||||||
|
@ -18,86 +18,84 @@
|
|||||||
* TRIQS. If not, see <http://www.gnu.org/licenses/>.
|
* TRIQS. If not, see <http://www.gnu.org/licenses/>.
|
||||||
*
|
*
|
||||||
******************************************************************************/
|
******************************************************************************/
|
||||||
#ifndef TRIQS_GF_MESH_DISCRETE_H
|
#pragma once
|
||||||
#define TRIQS_GF_MESH_DISCRETE_H
|
|
||||||
#include "./mesh_tools.hpp"
|
#include "./mesh_tools.hpp"
|
||||||
#include "../domains/discrete.hpp"
|
#include "../domains/discrete.hpp"
|
||||||
|
|
||||||
namespace triqs { namespace gfs {
|
namespace triqs {
|
||||||
|
namespace gfs {
|
||||||
|
|
||||||
template<typename Domain>
|
template <typename Domain> struct discrete_mesh {
|
||||||
struct discrete_mesh {
|
|
||||||
|
|
||||||
typedef Domain domain_t;
|
using domain_t = Domain;
|
||||||
typedef size_t index_t;
|
using index_t = long;
|
||||||
|
|
||||||
discrete_mesh(domain_t dom) : _dom(std::move(dom)) {}
|
discrete_mesh(domain_t dom) : _dom(std::move(dom)) {}
|
||||||
discrete_mesh() = default;
|
discrete_mesh() = default;
|
||||||
|
|
||||||
domain_t const &domain() const { return _dom; }
|
domain_t const &domain() const { return _dom; }
|
||||||
size_t size() const {return _dom.size();}
|
long size() const { return _dom.size(); }
|
||||||
|
|
||||||
/// Conversions point <-> index <-> discrete_index
|
/// Conversions point <-> index <-> discrete_index
|
||||||
size_t index_to_point (index_t ind) const {return ind;}
|
long index_to_point(index_t ind) const { return ind; }
|
||||||
size_t index_to_linear(index_t ind) const {return ind;}
|
long index_to_linear(index_t ind) const { return ind; }
|
||||||
|
|
||||||
/// The wrapper for the mesh point
|
/// The wrapper for the mesh point
|
||||||
class mesh_point_t : tag::mesh_point,public utility::arithmetic_ops_by_cast<mesh_point_t, size_t> {
|
class mesh_point_t : tag::mesh_point, public utility::arithmetic_ops_by_cast<mesh_point_t, long> {
|
||||||
discrete_mesh const * m;
|
discrete_mesh const *m;
|
||||||
index_t _index;
|
index_t _index;
|
||||||
public:
|
public:
|
||||||
mesh_point_t() = default;
|
mesh_point_t() = default;
|
||||||
mesh_point_t( discrete_mesh const & mesh, index_t const & index_): m(&mesh), _index(index_) {}
|
mesh_point_t(discrete_mesh const &mesh, index_t const &index_) : m(&mesh), _index(index_) {}
|
||||||
void advance() { ++_index;}
|
void advance() { ++_index; }
|
||||||
typedef size_t cast_t;
|
using cast_t = long;
|
||||||
operator cast_t() const { return m->index_to_point(_index);}
|
operator cast_t() const { return m->index_to_point(_index); }
|
||||||
size_t linear_index() const { return _index;}
|
long linear_index() const { return _index; }
|
||||||
size_t index() const { return _index;}
|
long index() const { return _index; }
|
||||||
bool at_end() const { return (_index == m->size());}
|
bool at_end() const { return (_index == m->size()); }
|
||||||
void reset() {_index =0;}
|
void reset() { _index = 0; }
|
||||||
};
|
|
||||||
|
|
||||||
/// Accessing a point of the mesh
|
|
||||||
mesh_point_t operator[](index_t i) const { return mesh_point_t (*this,i);}
|
|
||||||
mesh_point_t operator[](std::string const & s) const { return mesh_point_t (*this,_dom.index_from_name(s));}
|
|
||||||
|
|
||||||
/// Iterating on all the points...
|
|
||||||
typedef mesh_pt_generator<discrete_mesh> const_iterator;
|
|
||||||
const_iterator begin() const { return const_iterator (this);}
|
|
||||||
const_iterator end() const { return const_iterator (this, true);}
|
|
||||||
const_iterator cbegin() const { return const_iterator (this);}
|
|
||||||
const_iterator cend() const { return const_iterator (this, true);}
|
|
||||||
|
|
||||||
/// Mesh comparison
|
|
||||||
bool operator == (discrete_mesh const & M) const { return (_dom == M._dom) ;}
|
|
||||||
bool operator != (discrete_mesh const & M) const { return !(operator==(M)); }
|
|
||||||
|
|
||||||
/// Write into HDF5
|
|
||||||
friend void h5_write (h5::group fg, std::string subgroup_name, discrete_mesh const & m) {
|
|
||||||
h5::group gr = fg.create_group(subgroup_name);
|
|
||||||
h5_write(gr,"domain",m.domain());
|
|
||||||
}
|
|
||||||
|
|
||||||
/// Read from HDF5
|
|
||||||
friend void h5_read (h5::group fg, std::string subgroup_name, discrete_mesh & m){
|
|
||||||
h5::group gr = fg.open_group(subgroup_name);
|
|
||||||
typename discrete_mesh::domain_t dom;
|
|
||||||
h5_read(gr,"domain",dom);
|
|
||||||
m = discrete_mesh(std::move(dom));
|
|
||||||
}
|
|
||||||
|
|
||||||
// BOOST Serialization
|
|
||||||
friend class boost::serialization::access;
|
|
||||||
template<class Archive>
|
|
||||||
void serialize(Archive & ar, const unsigned int version) {
|
|
||||||
ar & boost::serialization::make_nvp("domain",_dom);
|
|
||||||
}
|
|
||||||
|
|
||||||
friend std::ostream &operator <<(std::ostream &sout, discrete_mesh const & m){return sout << "Discrete Mesh"; }
|
|
||||||
|
|
||||||
private:
|
|
||||||
domain_t _dom;
|
|
||||||
};
|
};
|
||||||
}}
|
|
||||||
#endif
|
/// Accessing a point of the mesh
|
||||||
|
mesh_point_t operator[](index_t i) const { return mesh_point_t(*this, i); }
|
||||||
|
mesh_point_t operator[](std::string const &s) const { return mesh_point_t(*this, _dom.index_from_name(s)); }
|
||||||
|
|
||||||
|
/// Iterating on all the points...
|
||||||
|
using const_iterator = mesh_pt_generator<discrete_mesh>;
|
||||||
|
const_iterator begin() const { return const_iterator(this); }
|
||||||
|
const_iterator end() const { return const_iterator(this, true); }
|
||||||
|
const_iterator cbegin() const { return const_iterator(this); }
|
||||||
|
const_iterator cend() const { return const_iterator(this, true); }
|
||||||
|
|
||||||
|
/// Mesh comparison
|
||||||
|
bool operator==(discrete_mesh const &M) const { return (_dom == M._dom); }
|
||||||
|
bool operator!=(discrete_mesh const &M) const { return !(operator==(M)); }
|
||||||
|
|
||||||
|
/// Write into HDF5
|
||||||
|
friend void h5_write(h5::group fg, std::string subgroup_name, discrete_mesh const &m) {
|
||||||
|
h5::group gr = fg.create_group(subgroup_name);
|
||||||
|
h5_write(gr, "domain", m.domain());
|
||||||
|
}
|
||||||
|
|
||||||
|
/// Read from HDF5
|
||||||
|
friend void h5_read(h5::group fg, std::string subgroup_name, discrete_mesh &m) {
|
||||||
|
h5::group gr = fg.open_group(subgroup_name);
|
||||||
|
typename discrete_mesh::domain_t dom;
|
||||||
|
h5_read(gr, "domain", dom);
|
||||||
|
m = discrete_mesh(std::move(dom));
|
||||||
|
}
|
||||||
|
|
||||||
|
// BOOST Serialization
|
||||||
|
friend class boost::serialization::access;
|
||||||
|
template <class Archive> void serialize(Archive &ar, const unsigned int version) {
|
||||||
|
ar &boost::serialization::make_nvp("domain", _dom);
|
||||||
|
}
|
||||||
|
|
||||||
|
friend std::ostream &operator<<(std::ostream &sout, discrete_mesh const &m) { return sout << "Discrete Mesh"; }
|
||||||
|
|
||||||
|
private:
|
||||||
|
domain_t _dom;
|
||||||
|
};
|
||||||
|
}
|
||||||
|
}
|
||||||
|
|
||||||
|
@ -18,8 +18,7 @@
|
|||||||
* TRIQS. If not, see <http://www.gnu.org/licenses/>.
|
* TRIQS. If not, see <http://www.gnu.org/licenses/>.
|
||||||
*
|
*
|
||||||
******************************************************************************/
|
******************************************************************************/
|
||||||
#ifndef TRIQS_GF_MESH_LINEAR_H
|
#pragma once
|
||||||
#define TRIQS_GF_MESH_LINEAR_H
|
|
||||||
#include "./mesh_tools.hpp"
|
#include "./mesh_tools.hpp"
|
||||||
namespace triqs {
|
namespace triqs {
|
||||||
namespace gfs {
|
namespace gfs {
|
||||||
@ -31,15 +30,21 @@ namespace gfs {
|
|||||||
without_last
|
without_last
|
||||||
};
|
};
|
||||||
|
|
||||||
|
/**
|
||||||
|
* Linear mesh
|
||||||
|
*/
|
||||||
template <typename Domain> struct linear_mesh {
|
template <typename Domain> struct linear_mesh {
|
||||||
|
|
||||||
typedef Domain domain_t;
|
using domain_t = Domain;
|
||||||
typedef size_t index_t;
|
using index_t = long;
|
||||||
typedef typename domain_t::point_t domain_pt_t;
|
using domain_pt_t = typename domain_t::point_t;
|
||||||
|
|
||||||
|
static_assert(!std::is_base_of<std::complex<double>, domain_pt_t>::value,
|
||||||
|
"Internal error : can not use Linear Mesh in this case");
|
||||||
|
|
||||||
linear_mesh() : _dom(), L(0), a_pt(0), b_pt(0), xmin(0), xmax(0), del(0), meshk(half_bins) {}
|
linear_mesh() : _dom(), L(0), a_pt(0), b_pt(0), xmin(0), xmax(0), del(0), meshk(half_bins) {}
|
||||||
|
|
||||||
explicit linear_mesh(domain_t dom, double a, double b, size_t n_pts, mesh_kind mk)
|
explicit linear_mesh(domain_t dom, double a, double b, long n_pts, mesh_kind mk)
|
||||||
: _dom(std::move(dom)), L(n_pts), a_pt(a), b_pt(b), meshk(mk) {
|
: _dom(std::move(dom)), L(n_pts), a_pt(a), b_pt(b), meshk(mk) {
|
||||||
switch (mk) {
|
switch (mk) {
|
||||||
case half_bins:
|
case half_bins:
|
||||||
@ -59,23 +64,17 @@ namespace gfs {
|
|||||||
}
|
}
|
||||||
|
|
||||||
domain_t const &domain() const { return _dom; }
|
domain_t const &domain() const { return _dom; }
|
||||||
size_t size() const { return L; }
|
long size() const { return L; }
|
||||||
double delta() const { return del; }
|
double delta() const { return del; }
|
||||||
double x_max() const { return xmax; }
|
double x_max() const { return xmax; }
|
||||||
double x_min() const { return xmin; }
|
double x_min() const { return xmin; }
|
||||||
mesh_kind kind() const { return meshk; }
|
mesh_kind kind() const { return meshk; }
|
||||||
|
|
||||||
/// Conversions point <-> index <-> linear_index
|
/// Conversions point <-> index <-> linear_index
|
||||||
domain_pt_t index_to_point(index_t ind) const {
|
domain_pt_t index_to_point(index_t ind) const { return xmin + ind * del; }
|
||||||
return embed(xmin + ind * del, std::integral_constant<bool, std::is_base_of<std::complex<double>, domain_pt_t>::value>());
|
|
||||||
}
|
|
||||||
|
|
||||||
private: // multiply by I is the type is a complex ....
|
|
||||||
domain_pt_t embed(double x, std::false_type) const { return x; }
|
|
||||||
domain_pt_t embed(double x, std::true_type) const { return std::complex<double>(0, x); }
|
|
||||||
|
|
||||||
public:
|
public:
|
||||||
size_t index_to_linear(index_t ind) const { return ind; }
|
long index_to_linear(index_t ind) const { return ind; }
|
||||||
|
|
||||||
/// The wrapper for the mesh point
|
/// The wrapper for the mesh point
|
||||||
class mesh_point_t : tag::mesh_point, public utility::arithmetic_ops_by_cast<mesh_point_t, domain_pt_t> {
|
class mesh_point_t : tag::mesh_point, public utility::arithmetic_ops_by_cast<mesh_point_t, domain_pt_t> {
|
||||||
@ -86,24 +85,22 @@ namespace gfs {
|
|||||||
mesh_point_t() : m(nullptr) {}
|
mesh_point_t() : m(nullptr) {}
|
||||||
mesh_point_t(linear_mesh const &mesh, index_t const &index_) : m(&mesh), _index(index_) {}
|
mesh_point_t(linear_mesh const &mesh, index_t const &index_) : m(&mesh), _index(index_) {}
|
||||||
void advance() { ++_index; }
|
void advance() { ++_index; }
|
||||||
typedef domain_pt_t cast_t;
|
using cast_t = domain_pt_t;
|
||||||
operator cast_t() const { return m->index_to_point(_index); }
|
operator cast_t() const { return m->index_to_point(_index); }
|
||||||
size_t linear_index() const { return _index; }
|
long linear_index() const { return _index; }
|
||||||
size_t index() const { return _index; }
|
long index() const { return _index; }
|
||||||
bool at_end() const { return (_index == m->size()); }
|
bool at_end() const { return (_index == m->size()); }
|
||||||
void reset() { _index = 0; }
|
void reset() { _index = 0; }
|
||||||
};
|
};
|
||||||
|
|
||||||
/// Accessing a point of the mesh
|
/// Accessing a point of the mesh
|
||||||
mesh_point_t operator[](index_t i) const { return mesh_point_t(*this, i); }
|
mesh_point_t operator[](index_t i) const {
|
||||||
|
return {*this, i};
|
||||||
private:
|
}
|
||||||
static double real_or_imag(domain_pt_t x, std::false_type) { return x; }
|
|
||||||
static double real_or_imag(domain_pt_t x, std::true_type) { return imag(x); }
|
|
||||||
|
|
||||||
public:
|
public:
|
||||||
/// Iterating on all the points...
|
/// Iterating on all the points...
|
||||||
typedef mesh_pt_generator<linear_mesh> const_iterator;
|
using const_iterator = mesh_pt_generator<linear_mesh>;
|
||||||
const_iterator begin() const { return const_iterator(this); }
|
const_iterator begin() const { return const_iterator(this); }
|
||||||
const_iterator end() const { return const_iterator(this, true); }
|
const_iterator end() const { return const_iterator(this, true); }
|
||||||
const_iterator cbegin() const { return const_iterator(this); }
|
const_iterator cbegin() const { return const_iterator(this); }
|
||||||
@ -142,7 +139,7 @@ namespace gfs {
|
|||||||
h5::group gr = fg.open_group(subgroup_name);
|
h5::group gr = fg.open_group(subgroup_name);
|
||||||
typename linear_mesh::domain_t dom;
|
typename linear_mesh::domain_t dom;
|
||||||
double a, b;
|
double a, b;
|
||||||
size_t L;
|
long L;
|
||||||
int k;
|
int k;
|
||||||
mesh_kind mk;
|
mesh_kind mk;
|
||||||
h5_read(gr, "domain", dom);
|
h5_read(gr, "domain", dom);
|
||||||
@ -181,17 +178,15 @@ namespace gfs {
|
|||||||
|
|
||||||
private:
|
private:
|
||||||
domain_t _dom;
|
domain_t _dom;
|
||||||
size_t L;
|
long L;
|
||||||
double a_pt, b_pt;
|
double a_pt, b_pt, xmin, xmax, del;
|
||||||
double xmin, xmax;
|
|
||||||
double del;
|
|
||||||
mesh_kind meshk;
|
mesh_kind meshk;
|
||||||
};
|
};
|
||||||
|
|
||||||
|
|
||||||
// UNUSED
|
// UNUSED, only in deprecated code...
|
||||||
/// Simple approximation of a point of the domain by a mesh point. No check
|
/// Simple approximation of a point of the domain by a mesh point. No check
|
||||||
template <typename D> size_t get_closest_mesh_pt_index(linear_mesh<D> const &mesh, typename D::point_t const &x) {
|
template <typename D> long get_closest_mesh_pt_index(linear_mesh<D> const &mesh, typename D::point_t const &x) {
|
||||||
double a = (x - mesh.x_min()) / mesh.delta();
|
double a = (x - mesh.x_min()) / mesh.delta();
|
||||||
return std::floor(a);
|
return std::floor(a);
|
||||||
}
|
}
|
||||||
@ -212,5 +207,4 @@ namespace gfs {
|
|||||||
}
|
}
|
||||||
}
|
}
|
||||||
}
|
}
|
||||||
#endif
|
|
||||||
|
|
||||||
|
@ -25,47 +25,75 @@
|
|||||||
namespace triqs {
|
namespace triqs {
|
||||||
namespace gfs {
|
namespace gfs {
|
||||||
|
|
||||||
//----------------------------------- The mesh -----------------------------------------
|
|
||||||
struct matsubara_freq_mesh {
|
struct matsubara_freq_mesh {
|
||||||
|
|
||||||
|
///
|
||||||
using domain_t = matsubara_domain<true>;
|
using domain_t = matsubara_domain<true>;
|
||||||
using index_t = int;
|
///
|
||||||
|
using index_t = long;
|
||||||
|
///
|
||||||
using domain_pt_t = typename domain_t::point_t;
|
using domain_pt_t = typename domain_t::point_t;
|
||||||
|
|
||||||
|
/// Constructor
|
||||||
matsubara_freq_mesh() : _dom(), n_max(0), _positive_only(true) {}
|
matsubara_freq_mesh() : _dom(), n_max(0), _positive_only(true) {}
|
||||||
|
|
||||||
explicit matsubara_freq_mesh(domain_t dom, int n_pts, bool positive_only = true)
|
/// Constructor
|
||||||
|
matsubara_freq_mesh(domain_t dom, int n_pts=1025, bool positive_only = true)
|
||||||
: _dom(std::move(dom)), n_max(n_pts), _positive_only(positive_only) {}
|
: _dom(std::move(dom)), n_max(n_pts), _positive_only(positive_only) {}
|
||||||
|
|
||||||
|
/// Constructor
|
||||||
|
matsubara_freq_mesh(double beta, statistic_enum S, int Nmax = 1025, bool positive_only = true)
|
||||||
|
: matsubara_freq_mesh({beta, S}, Nmax, positive_only) {}
|
||||||
|
|
||||||
|
/// Copy constructor
|
||||||
|
matsubara_freq_mesh(matsubara_freq_mesh const &) = default;
|
||||||
|
|
||||||
|
/// The corresponding domain
|
||||||
domain_t const &domain() const { return _dom; }
|
domain_t const &domain() const { return _dom; }
|
||||||
|
|
||||||
|
/** \brief First value of the index
|
||||||
|
*
|
||||||
|
* 0 if positive_only is true
|
||||||
|
* else :
|
||||||
|
* For fermions : -Nmax +1
|
||||||
|
* For Bosons : -Nmax
|
||||||
|
**/
|
||||||
int index_start() const { return -(_positive_only ? 0 : n_max + (_dom.statistic == Fermion)); }
|
int index_start() const { return -(_positive_only ? 0 : n_max + (_dom.statistic == Fermion)); }
|
||||||
size_t size() const { return (_positive_only ? n_max : 2 * n_max + (_dom.statistic == Boson ? 1 : 2)); }
|
|
||||||
|
|
||||||
/// Conversions point <-> index <-> linear_index
|
/// Size (linear) of the mesh
|
||||||
domain_pt_t index_to_point(index_t ind) const {
|
long size() const { return (_positive_only ? n_max : 2 * n_max + (_dom.statistic == Boson ? 1 : 2)); }
|
||||||
return 1_j * M_PI * (2 * ind + (_dom.statistic == Fermion ? 1 : 0)) / _dom.beta;
|
|
||||||
}
|
|
||||||
|
|
||||||
public:
|
/// From an index of a point in the mesh, returns the corresponding point in the domain
|
||||||
int index_to_linear(index_t ind) const { return ind + index_start(); }
|
domain_pt_t index_to_point(index_t ind) const { return 1_j * M_PI * (2 * ind + _dom.statistic == Fermion) / _dom.beta; }
|
||||||
|
|
||||||
/// The mesh point
|
/// Flatten the index in the positive linear index for memory storage (almost trivial here).
|
||||||
|
long index_to_linear(index_t ind) const { return ind + index_start(); }
|
||||||
|
|
||||||
|
/**
|
||||||
|
* The mesh point
|
||||||
|
*
|
||||||
|
* * NB : the mesh point is also in this case a matsubara_freq.
|
||||||
|
**/
|
||||||
struct mesh_point_t : tag::mesh_point, matsubara_freq {
|
struct mesh_point_t : tag::mesh_point, matsubara_freq {
|
||||||
index_t index_start, index_stop;
|
|
||||||
mesh_point_t() = default;
|
mesh_point_t() = default;
|
||||||
mesh_point_t(matsubara_freq_mesh const &mesh, index_t const &index_)
|
mesh_point_t(matsubara_freq_mesh const &mesh, index_t const &index_)
|
||||||
: matsubara_freq(index_, mesh.domain().beta, mesh.domain().statistic),
|
: matsubara_freq(index_, mesh.domain().beta, mesh.domain().statistic),
|
||||||
index_start(mesh.index_start()),
|
index_start(mesh.index_start()),
|
||||||
index_stop(mesh.index_start() + mesh.size() - 1) {}
|
index_stop(mesh.index_start() + mesh.size() - 1) {}
|
||||||
void advance() { ++n; }
|
void advance() { ++n; }
|
||||||
size_t linear_index() const { return n; }
|
long linear_index() const { return n; }
|
||||||
size_t index() const { return n; }
|
long index() const { return n; }
|
||||||
bool at_end() const { return (n == index_stop); }
|
bool at_end() const { return (n == index_stop); }
|
||||||
void reset() { n = index_start; }
|
void reset() { n = index_start; }
|
||||||
|
|
||||||
|
private:
|
||||||
|
index_t index_start, index_stop;
|
||||||
};
|
};
|
||||||
|
|
||||||
/// Accessing a point of the mesh
|
/// Accessing a point of the mesh from its index
|
||||||
mesh_point_t operator[](index_t i) const { return mesh_point_t(*this, i); }
|
mesh_point_t operator[](index_t i) const {
|
||||||
|
return {*this, i};
|
||||||
|
}
|
||||||
|
|
||||||
/// Iterating on all the points...
|
/// Iterating on all the points...
|
||||||
using const_iterator = mesh_pt_generator<matsubara_freq_mesh>;
|
using const_iterator = mesh_pt_generator<matsubara_freq_mesh>;
|
||||||
@ -74,7 +102,6 @@ namespace gfs {
|
|||||||
const_iterator cbegin() const { return const_iterator(this); }
|
const_iterator cbegin() const { return const_iterator(this); }
|
||||||
const_iterator cend() const { return const_iterator(this, true); }
|
const_iterator cend() const { return const_iterator(this, true); }
|
||||||
|
|
||||||
/// Mesh comparison
|
|
||||||
bool operator==(matsubara_freq_mesh const &M) const {
|
bool operator==(matsubara_freq_mesh const &M) const {
|
||||||
return (std::make_tuple(_dom, n_max, _positive_only, n_max) == std::make_tuple(M._dom, M.n_max, M._positive_only, n_max));
|
return (std::make_tuple(_dom, n_max, _positive_only, n_max) == std::make_tuple(M._dom, M.n_max, M._positive_only, n_max));
|
||||||
}
|
}
|
||||||
@ -86,8 +113,7 @@ namespace gfs {
|
|||||||
h5_write(gr, "domain", m.domain());
|
h5_write(gr, "domain", m.domain());
|
||||||
h5_write(gr, "size", m.size());
|
h5_write(gr, "size", m.size());
|
||||||
if (m._positive_only) {
|
if (m._positive_only) {
|
||||||
// h5_write(gr, "start_at_0", m._positive_only);
|
// kept ONLY for backward compatibility of archives
|
||||||
// kept for backward compatibility
|
|
||||||
auto beta = m.domain().beta;
|
auto beta = m.domain().beta;
|
||||||
h5_write(gr, "min", Fermion ? M_PI / beta : 0);
|
h5_write(gr, "min", Fermion ? M_PI / beta : 0);
|
||||||
h5_write(gr, "max", ((Fermion ? 1 : 0) + 2 * m.size()) * M_PI / beta);
|
h5_write(gr, "max", ((Fermion ? 1 : 0) + 2 * m.size()) * M_PI / beta);
|
||||||
@ -109,14 +135,15 @@ namespace gfs {
|
|||||||
m = matsubara_freq_mesh{std::move(dom), L, s};
|
m = matsubara_freq_mesh{std::move(dom), L, s};
|
||||||
}
|
}
|
||||||
|
|
||||||
// BOOST Serialization
|
|
||||||
friend class boost::serialization::access;
|
friend class boost::serialization::access;
|
||||||
|
/// BOOST Serialization
|
||||||
template <class Archive> void serialize(Archive &ar, const unsigned int version) {
|
template <class Archive> void serialize(Archive &ar, const unsigned int version) {
|
||||||
ar &boost::serialization::make_nvp("domain", _dom);
|
ar &boost::serialization::make_nvp("domain", _dom);
|
||||||
ar &boost::serialization::make_nvp("size", n_max);
|
ar &boost::serialization::make_nvp("size", n_max);
|
||||||
ar &boost::serialization::make_nvp("kind", _positive_only);
|
ar &boost::serialization::make_nvp("kind", _positive_only);
|
||||||
}
|
}
|
||||||
|
|
||||||
|
/// Simple print (just blabla and the size)
|
||||||
friend std::ostream &operator<<(std::ostream &sout, matsubara_freq_mesh const &m) {
|
friend std::ostream &operator<<(std::ostream &sout, matsubara_freq_mesh const &m) {
|
||||||
return sout << "Matsubara Freq Mesh of size " << m.size();
|
return sout << "Matsubara Freq Mesh of size " << m.size();
|
||||||
}
|
}
|
||||||
@ -126,6 +153,19 @@ namespace gfs {
|
|||||||
int n_max;
|
int n_max;
|
||||||
bool _positive_only;
|
bool _positive_only;
|
||||||
};
|
};
|
||||||
|
|
||||||
|
//-------------------------------------------------------
|
||||||
|
|
||||||
|
/** \brief foreach for this mesh
|
||||||
|
*
|
||||||
|
* @param m : a mesh
|
||||||
|
* @param F : a function of synopsis auto F (matsubara_freq_mesh::mesh_point_t)
|
||||||
|
*
|
||||||
|
* Calls F on each point of the mesh, in arbitrary order.
|
||||||
|
**/
|
||||||
|
template <typename Lambda> void foreach(matsubara_freq_mesh const &m, Lambda F) {
|
||||||
|
for (auto const &w : m) F(w);
|
||||||
|
}
|
||||||
}
|
}
|
||||||
}
|
}
|
||||||
|
|
||||||
|
56
triqs/gfs/meshes/matsubara_time.hpp
Normal file
56
triqs/gfs/meshes/matsubara_time.hpp
Normal file
@ -0,0 +1,56 @@
|
|||||||
|
/*******************************************************************************
|
||||||
|
*
|
||||||
|
* TRIQS: a Toolbox for Research in Interacting Quantum Systems
|
||||||
|
*
|
||||||
|
* Copyright (C) 2013 by O. Parcollet
|
||||||
|
*
|
||||||
|
* TRIQS is free software: you can redistribute it and/or modify it under the
|
||||||
|
* terms of the GNU General Public License as published by the Free Software
|
||||||
|
* Foundation, either version 3 of the License, or (at your option) any later
|
||||||
|
* version.
|
||||||
|
*
|
||||||
|
* TRIQS is distributed in the hope that it will be useful, but WITHOUT ANY
|
||||||
|
* WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS
|
||||||
|
* FOR A PARTICULAR PURPOSE. See the GNU General Public License for more
|
||||||
|
* details.
|
||||||
|
*
|
||||||
|
* You should have received a copy of the GNU General Public License along with
|
||||||
|
* TRIQS. If not, see <http://www.gnu.org/licenses/>.
|
||||||
|
*
|
||||||
|
******************************************************************************/
|
||||||
|
#pragma once
|
||||||
|
#include "./mesh_tools.hpp"
|
||||||
|
#include "../domains/matsubara.hpp"
|
||||||
|
#include "./linear.hpp"
|
||||||
|
|
||||||
|
namespace triqs {
|
||||||
|
namespace gfs {
|
||||||
|
|
||||||
|
struct matsubara_time_mesh : linear_mesh<matsubara_time_domain> {
|
||||||
|
private:
|
||||||
|
using B = linear_mesh<matsubara_time_domain>;
|
||||||
|
|
||||||
|
public:
|
||||||
|
matsubara_time_mesh() = default;
|
||||||
|
matsubara_time_mesh(matsubara_time_mesh const &x) = default;
|
||||||
|
matsubara_time_mesh(matsubara_time_domain d, int n_time_slices, mesh_kind mk = half_bins) : B(d, 0, d.beta, n_time_slices, mk) {}
|
||||||
|
matsubara_time_mesh(double beta, statistic_enum S, int n_time_slices, mesh_kind mk = half_bins)
|
||||||
|
: matsubara_time_mesh({beta, S}, n_time_slices, mk) {}
|
||||||
|
};
|
||||||
|
|
||||||
|
|
||||||
|
//-------------------------------------------------------
|
||||||
|
|
||||||
|
/** \brief foreach for this mesh
|
||||||
|
*
|
||||||
|
* @param m : a mesh
|
||||||
|
* @param F : a function of synopsis auto F (matsubara_time_mesh::mesh_point_t)
|
||||||
|
*
|
||||||
|
* Calls F on each point of the mesh, in arbitrary order.
|
||||||
|
**/
|
||||||
|
template <typename Lambda> void foreach(matsubara_time_mesh const &m, Lambda F) {
|
||||||
|
for (auto const &w : m) F(w);
|
||||||
|
}
|
||||||
|
}
|
||||||
|
}
|
||||||
|
|
@ -2,7 +2,7 @@
|
|||||||
*
|
*
|
||||||
* TRIQS: a Toolbox for Research in Interacting Quantum Systems
|
* TRIQS: a Toolbox for Research in Interacting Quantum Systems
|
||||||
*
|
*
|
||||||
* Copyright (C) 2012 by M. Ferrero, O. Parcollet
|
* Copyright (C) 2012-2013 by O. Parcollet
|
||||||
*
|
*
|
||||||
* TRIQS is free software: you can redistribute it and/or modify it under the
|
* TRIQS is free software: you can redistribute it and/or modify it under the
|
||||||
* terms of the GNU General Public License as published by the Free Software
|
* terms of the GNU General Public License as published by the Free Software
|
||||||
@ -18,170 +18,254 @@
|
|||||||
* TRIQS. If not, see <http://www.gnu.org/licenses/>.
|
* TRIQS. If not, see <http://www.gnu.org/licenses/>.
|
||||||
*
|
*
|
||||||
******************************************************************************/
|
******************************************************************************/
|
||||||
#ifndef TRIQS_GF_MESH_PRODUCT_H
|
#pragma once
|
||||||
#define TRIQS_GF_MESH_PRODUCT_H
|
|
||||||
#include "./mesh_tools.hpp"
|
#include "./mesh_tools.hpp"
|
||||||
#include "../domains/product.hpp"
|
#include "../domains/product.hpp"
|
||||||
#include <triqs/utility/tuple_tools.hpp>
|
#include <triqs/utility/tuple_tools.hpp>
|
||||||
#include <triqs/utility/mini_vector.hpp>
|
#include <triqs/utility/mini_vector.hpp>
|
||||||
#include <triqs/utility/c14.hpp>
|
#include <triqs/utility/c14.hpp>
|
||||||
namespace triqs { namespace gfs {
|
namespace triqs {
|
||||||
|
namespace gfs {
|
||||||
|
|
||||||
template<typename... Meshes> struct mesh_product : tag::composite {
|
/** Cartesian product of meshes
|
||||||
typedef domain_product<typename Meshes::domain_t ... > domain_t;
|
*/
|
||||||
typedef std::c14::tuple<typename Meshes::index_t ... > index_t;
|
template <typename... Meshes> struct mesh_product : tag::composite {
|
||||||
typedef std::tuple<Meshes...> m_tuple_t;
|
using domain_t = domain_product<typename Meshes::domain_t...>;
|
||||||
typedef std::tuple<typename Meshes::mesh_point_t ...> m_pt_tuple_t;
|
using index_t = std::c14::tuple<typename Meshes::index_t...>;
|
||||||
typedef typename domain_t::point_t domain_pt_t;
|
using m_tuple_t = std::tuple<Meshes...>;
|
||||||
|
using m_pt_tuple_t = std::tuple<typename Meshes::mesh_point_t...>;
|
||||||
|
using domain_pt_t = typename domain_t::point_t;
|
||||||
|
|
||||||
static constexpr int dim = sizeof...(Meshes);
|
static constexpr int dim = sizeof...(Meshes);
|
||||||
|
|
||||||
mesh_product () {}
|
mesh_product() {}
|
||||||
mesh_product (Meshes const & ... meshes) : m_tuple(meshes...), _dom(meshes.domain()...) {}
|
mesh_product(Meshes const &... meshes) : m_tuple(meshes...), _dom(meshes.domain()...) {}
|
||||||
|
|
||||||
domain_t const & domain() const { return _dom;}
|
domain_t const &domain() const { return _dom; }
|
||||||
m_tuple_t const & components() const { return m_tuple;}
|
m_tuple_t const &components() const { return m_tuple; }
|
||||||
m_tuple_t & components() { return m_tuple;}
|
m_tuple_t &components() { return m_tuple; }
|
||||||
|
|
||||||
/// size of the mesh is the product of size
|
|
||||||
struct _aux0 { template<typename M> size_t operator()(M const & m, size_t R) { return R*m.size();}};
|
|
||||||
size_t size() const { return triqs::tuple::fold(_aux0(), m_tuple, 1);}
|
|
||||||
|
|
||||||
/// Conversions point <-> index <-> linear_index
|
|
||||||
struct _aux1 { template<typename P, typename M, typename I> void operator()(P & p, M const & m, I const& i) {p = m.index_to_point(i);}};
|
|
||||||
typename domain_t::point_t index_to_point(index_t const & ind) const { domain_pt_t res; triqs::tuple::apply_on_zip(_aux1(), res,m_tuple,ind); return res;}
|
|
||||||
|
|
||||||
// index[0] + component[0].size * (index[1] + component[1].size* (index[2] + ....))
|
|
||||||
struct _aux2 { template<typename I, typename M> size_t operator()(M const & m, I const & i,size_t R) {return m.index_to_linear(i) + R * m.size();}};
|
|
||||||
size_t index_to_linear(index_t const & ii) const { return triqs::tuple::fold_on_zip(_aux2(), reverse(m_tuple), reverse(ii), size_t(0)); }
|
|
||||||
// size_t index_to_linear(index_t const & ii) const { return triqs::tuple::fold_on_zip([](auto const &m, auto const &i, auto R){return m.index_to_linear(i) + R * m.size();} , m_tuple, ii, size_t(0)); }
|
|
||||||
|
|
||||||
|
|
||||||
// Same but a tuple of mesh_point_t
|
|
||||||
struct _aux3 { template<typename P, typename M> size_t operator()(M const & m, P const & p,size_t R) {return p.linear_index() + R * m.size();}};
|
|
||||||
size_t mp_to_linear(m_pt_tuple_t const & mp) const { return triqs::tuple::fold_on_zip(_aux3(), reverse(m_tuple), reverse(mp), size_t(0)); }
|
|
||||||
|
|
||||||
//
|
|
||||||
struct _aux4 { template< typename M, typename V> V * operator()(M const & m, V * v) {*v = m.size(); return ++v;}};
|
|
||||||
utility::mini_vector<size_t,dim> all_size_as_mini_vector () const {
|
|
||||||
utility::mini_vector<size_t,dim> res;
|
|
||||||
triqs::tuple::fold(_aux4(), m_tuple, &res[0] );
|
|
||||||
return res;
|
|
||||||
}
|
|
||||||
|
|
||||||
// Same but a variadic list of mesh_point_t
|
|
||||||
template<typename ... MP> size_t mesh_pt_components_to_linear(MP const & ... mp) const {
|
|
||||||
static_assert(std::is_same< std::tuple<MP...>, m_pt_tuple_t>::value, "Call incorrect ");
|
|
||||||
//static_assert(std::is_same< std::tuple<typename std::remove_cv<typename std::remove_reference<MP>::type>::type...>, m_pt_tuple_t>::value, "Call incorrect ");
|
|
||||||
return mp_to_linear(std::forward_as_tuple(mp...));
|
|
||||||
} // speed test ? or make a variadic fold...
|
|
||||||
|
|
||||||
/// The wrapper for the mesh point
|
|
||||||
class mesh_point_t : tag::mesh_point{
|
|
||||||
const mesh_product * m;
|
|
||||||
m_pt_tuple_t _c; bool _atend;
|
|
||||||
struct F2 { template<typename M> typename M::mesh_point_t operator()(M const & m, typename M::index_t const & i) const { return m[i];}};
|
|
||||||
struct F1 { template<typename M> typename M::mesh_point_t operator()(M const & m) const { return m[typename M::index_t()];}};
|
|
||||||
public :
|
|
||||||
mesh_point_t() = default;
|
|
||||||
mesh_point_t(mesh_product const & m_, index_t index_ ) : m(&m_), _c (triqs::tuple::apply_on_zip(F2(), m_.m_tuple, index_)), _atend(false) {}
|
|
||||||
mesh_point_t(mesh_product const & m_) : m(&m_), _c (triqs::tuple::apply(F1(), m_.m_tuple)), _atend(false) {}
|
|
||||||
m_pt_tuple_t const & components_tuple() const { return _c;}
|
|
||||||
size_t linear_index() const { return m->mp_to_linear(_c);}
|
|
||||||
const mesh_product * mesh() const { return m;}
|
|
||||||
|
|
||||||
typedef domain_pt_t cast_t;
|
|
||||||
operator cast_t() const { return m->index_to_point(index);}
|
|
||||||
|
|
||||||
// index[0] +=1; if index[0]==m.component[0].size() { index[0]=0; index[1] +=1; if ....} and so on until dim
|
|
||||||
struct _aux1 { template<typename P> bool operator()(P & p, bool done)
|
|
||||||
{if (done) return true; p.advance(); if (p.at_end()) {p.reset(); return false;} return true;}
|
|
||||||
};
|
|
||||||
void advance() { triqs::tuple::fold(_aux1(), _c, false);}
|
|
||||||
|
|
||||||
//index_t index() const { return _index;} // not implemented yet
|
|
||||||
bool at_end() const { return _atend;}
|
|
||||||
|
|
||||||
struct _aux{ template<typename M> size_t operator()(M & m,size_t ) { m.reset(); return 0;}};
|
|
||||||
void reset() { _atend = false; triqs::tuple::fold(_aux(), _c,0);}
|
|
||||||
};// end mesh_point_t
|
|
||||||
|
|
||||||
/// Accessing a point of the mesh
|
|
||||||
mesh_point_t operator[](index_t i) const { return mesh_point_t(*this, i);}
|
|
||||||
mesh_point_t operator()(typename Meshes::index_t ... i) const { return (*this)[std::make_tuple(i...)];}
|
|
||||||
|
|
||||||
/// Iterating on all the points...
|
|
||||||
typedef mesh_pt_generator<mesh_product> const_iterator;
|
|
||||||
const_iterator begin() const { return const_iterator (this);}
|
|
||||||
const_iterator end() const { return const_iterator (this, true);}
|
|
||||||
const_iterator cbegin() const { return const_iterator (this);}
|
|
||||||
const_iterator cend() const { return const_iterator (this, true);}
|
|
||||||
|
|
||||||
/// Mesh comparison
|
|
||||||
friend bool operator == (mesh_product const & M1, mesh_product const & M2) { return M1.m_tuple==M2.m_tuple; }
|
|
||||||
|
|
||||||
/// Write into HDF5
|
|
||||||
struct _auxh5w {
|
|
||||||
h5::group gr; _auxh5w( h5::group gr_) : gr(gr_) {} //icc has yet another bug on new initialization form with {}...
|
|
||||||
template<typename M> size_t operator()(M const & m, size_t N) { std::stringstream fs;fs <<"MeshComponent"<< N; h5_write(gr,fs.str(), m); return N+1; }
|
|
||||||
};
|
|
||||||
friend void h5_write (h5::group fg, std::string subgroup_name, mesh_product const & m) {
|
|
||||||
h5::group gr = fg.create_group(subgroup_name);
|
|
||||||
//h5_write(gr,"domain",m.domain());
|
|
||||||
triqs::tuple::fold(_auxh5w(gr), m.components(), size_t(0));
|
|
||||||
}
|
|
||||||
|
|
||||||
/// Read from HDF5
|
|
||||||
struct _auxh5r {
|
|
||||||
h5::group gr;_auxh5r( h5::group gr_) : gr(gr_) {}
|
|
||||||
template<typename M> size_t operator()(M & m, size_t N) { std::stringstream fs;fs <<"MeshComponent"<< N; h5_read(gr,fs.str(), m); return N+1; }
|
|
||||||
};
|
|
||||||
friend void h5_read (h5::group fg, std::string subgroup_name, mesh_product & m){
|
|
||||||
h5::group gr = fg.open_group(subgroup_name);
|
|
||||||
//h5_read(gr,"domain",m._dom);
|
|
||||||
triqs::tuple::fold(_auxh5r(gr), m.components(), size_t(0));
|
|
||||||
}
|
|
||||||
|
|
||||||
// BOOST Serialization
|
|
||||||
friend class boost::serialization::access;
|
|
||||||
template<typename Archive> struct _aux_ser {
|
|
||||||
Archive & ar;_aux_ser( Archive & ar_) : ar(ar_) {}
|
|
||||||
template<typename M> size_t operator()(M & m, size_t N) {
|
|
||||||
std::stringstream fs;fs <<"MeshComponent"<< N;
|
|
||||||
ar & boost::serialization::make_nvp(fs.str().c_str(),m);
|
|
||||||
return N+1;
|
|
||||||
}
|
|
||||||
};
|
|
||||||
template<class Archive>
|
|
||||||
void serialize(Archive & ar, const unsigned int version) {
|
|
||||||
triqs::tuple::fold(_aux_ser<Archive>(ar), m_tuple, size_t(0));
|
|
||||||
}
|
|
||||||
|
|
||||||
friend std::ostream &operator <<(std::ostream &sout, mesh_product const & m){return sout << "Product Mesh"; }
|
|
||||||
|
|
||||||
private:
|
private:
|
||||||
m_tuple_t m_tuple;
|
struct _aux0 {
|
||||||
domain_t _dom;
|
template <typename M> size_t operator()(M const &m, size_t R) { return R * m.size(); }
|
||||||
|
};
|
||||||
|
|
||||||
|
public:
|
||||||
|
/// size of the mesh is the product of size
|
||||||
|
size_t size() const { return triqs::tuple::fold(_aux0(), m_tuple, 1); }
|
||||||
|
|
||||||
|
private:
|
||||||
|
struct _aux1 {
|
||||||
|
template <typename P, typename M, typename I> void operator()(P &p, M const &m, I const &i) { p = m.index_to_point(i); }
|
||||||
|
};
|
||||||
|
|
||||||
|
public:
|
||||||
|
/// Conversions point <-> index <-> linear_index
|
||||||
|
typename domain_t::point_t index_to_point(index_t const &ind) const {
|
||||||
|
domain_pt_t res;
|
||||||
|
triqs::tuple::apply_on_zip(_aux1(), res, m_tuple, ind);
|
||||||
|
return res;
|
||||||
|
}
|
||||||
|
|
||||||
|
private:
|
||||||
|
struct _aux2 {
|
||||||
|
template <typename I, typename M> size_t operator()(M const &m, I const &i, size_t R) {
|
||||||
|
return m.index_to_linear(i) + R * m.size();
|
||||||
|
}
|
||||||
|
};
|
||||||
|
|
||||||
|
public:
|
||||||
|
/// Flattening index to linear : index[0] + component[0].size * (index[1] + component[1].size* (index[2] + ....))
|
||||||
|
size_t index_to_linear(index_t const &ii) const {
|
||||||
|
return triqs::tuple::fold_on_zip(_aux2(), reverse(m_tuple), reverse(ii), size_t(0));
|
||||||
|
}
|
||||||
|
// size_t index_to_linear(index_t const & ii) const { return triqs::tuple::fold_on_zip([](auto const &m, auto const &i, auto R)
|
||||||
|
//{return m.index_to_linear(i) + R * m.size();} , m_tuple, ii, size_t(0)); }
|
||||||
|
|
||||||
|
private:
|
||||||
|
struct _aux3 {
|
||||||
|
template <typename P, typename M> size_t operator()(M const &m, P const &p, size_t R) {
|
||||||
|
return p.linear_index() + R * m.size();
|
||||||
|
}
|
||||||
|
};
|
||||||
|
|
||||||
|
public:
|
||||||
|
/// Flattening index to linear : index[0] + component[0].size * (index[1] + component[1].size* (index[2] + ....))
|
||||||
|
size_t mp_to_linear(m_pt_tuple_t const &mp) const {
|
||||||
|
return triqs::tuple::fold_on_zip(_aux3(), reverse(m_tuple), reverse(mp), size_t(0));
|
||||||
|
}
|
||||||
|
|
||||||
|
//
|
||||||
|
private:
|
||||||
|
struct _aux4 {
|
||||||
|
template <typename M, typename V> V *operator()(M const &m, V *v) {
|
||||||
|
*v = m.size();
|
||||||
|
return ++v;
|
||||||
|
}
|
||||||
|
};
|
||||||
|
|
||||||
|
public:
|
||||||
|
utility::mini_vector<size_t, dim> all_size_as_mini_vector() const {
|
||||||
|
utility::mini_vector<size_t, dim> res;
|
||||||
|
triqs::tuple::fold(_aux4(), m_tuple, &res[0]);
|
||||||
|
return res;
|
||||||
|
}
|
||||||
|
|
||||||
|
// Same but a variadic list of mesh_point_t
|
||||||
|
template <typename... MP> size_t mesh_pt_components_to_linear(MP const &... mp) const {
|
||||||
|
static_assert(std::is_same<std::tuple<MP...>, m_pt_tuple_t>::value, "Call incorrect ");
|
||||||
|
// static_assert(std::is_same< std::tuple<typename std::remove_cv<typename std::remove_reference<MP>::type>::type...>,
|
||||||
|
// m_pt_tuple_t>::value, "Call incorrect ");
|
||||||
|
return mp_to_linear(std::forward_as_tuple(mp...));
|
||||||
|
} // speed test ? or make a variadic fold...
|
||||||
|
|
||||||
|
/// The wrapper for the mesh point
|
||||||
|
class mesh_point_t : tag::mesh_point {
|
||||||
|
const mesh_product *m;
|
||||||
|
m_pt_tuple_t _c;
|
||||||
|
bool _atend;
|
||||||
|
struct F2 {
|
||||||
|
template <typename M> typename M::mesh_point_t operator()(M const &m, typename M::index_t const &i) const { return m[i]; }
|
||||||
|
};
|
||||||
|
struct F1 {
|
||||||
|
template <typename M> typename M::mesh_point_t operator()(M const &m) const { return m[typename M::index_t()]; }
|
||||||
|
};
|
||||||
|
|
||||||
|
public:
|
||||||
|
mesh_point_t() = default;
|
||||||
|
mesh_point_t(mesh_product const &m_, index_t index_)
|
||||||
|
: m(&m_), _c(triqs::tuple::apply_on_zip(F2(), m_.m_tuple, index_)), _atend(false) {}
|
||||||
|
mesh_point_t(mesh_product const &m_) : m(&m_), _c(triqs::tuple::apply(F1(), m_.m_tuple)), _atend(false) {}
|
||||||
|
m_pt_tuple_t const &components_tuple() const { return _c; }
|
||||||
|
size_t linear_index() const { return m->mp_to_linear(_c); }
|
||||||
|
const mesh_product *mesh() const { return m; }
|
||||||
|
|
||||||
|
using cast_t = domain_pt_t;
|
||||||
|
operator cast_t() const { return m->index_to_point(index); }
|
||||||
|
|
||||||
|
// index[0] +=1; if index[0]==m.component[0].size() { index[0]=0; index[1] +=1; if ....} and so on until dim
|
||||||
|
private:
|
||||||
|
struct _aux1 {
|
||||||
|
template <typename P> bool operator()(P &p, bool done) {
|
||||||
|
if (done) return true;
|
||||||
|
p.advance();
|
||||||
|
if (!p.at_end()) return true;
|
||||||
|
p.reset();
|
||||||
|
return false;
|
||||||
|
}
|
||||||
|
};
|
||||||
|
|
||||||
|
public:
|
||||||
|
void advance() { triqs::tuple::fold(_aux1(), _c, false); }
|
||||||
|
|
||||||
|
// index_t index() const { return _index;} // not implemented yet
|
||||||
|
bool at_end() const { return _atend; }
|
||||||
|
|
||||||
|
private:
|
||||||
|
struct _aux {
|
||||||
|
template <typename M> size_t operator()(M &m, size_t) {
|
||||||
|
m.reset();
|
||||||
|
return 0;
|
||||||
|
}
|
||||||
|
};
|
||||||
|
|
||||||
|
public:
|
||||||
|
void reset() {
|
||||||
|
_atend = false;
|
||||||
|
triqs::tuple::fold(_aux(), _c, 0);
|
||||||
|
}
|
||||||
|
}; // end mesh_point_t
|
||||||
|
|
||||||
|
/// Accessing a point of the mesh
|
||||||
|
mesh_point_t operator[](index_t i) const { return mesh_point_t(*this, i); }
|
||||||
|
mesh_point_t operator()(typename Meshes::index_t... i) const { return (*this)[std::make_tuple(i...)]; }
|
||||||
|
|
||||||
|
/// Iterating on all the points...
|
||||||
|
using const_iterator = mesh_pt_generator<mesh_product>;
|
||||||
|
const_iterator begin() const { return const_iterator(this); }
|
||||||
|
const_iterator end() const { return const_iterator(this, true); }
|
||||||
|
const_iterator cbegin() const { return const_iterator(this); }
|
||||||
|
const_iterator cend() const { return const_iterator(this, true); }
|
||||||
|
|
||||||
|
/// Mesh comparison
|
||||||
|
friend bool operator==(mesh_product const &M1, mesh_product const &M2) { return M1.m_tuple == M2.m_tuple; }
|
||||||
|
|
||||||
|
private:
|
||||||
|
|
||||||
|
/// Write into HDF5
|
||||||
|
struct _auxh5w {
|
||||||
|
h5::group gr;
|
||||||
|
_auxh5w(h5::group gr_) : gr(gr_) {} // icc has yet another bug on new initialization form with {}...
|
||||||
|
template <typename M> size_t operator()(M const &m, size_t N) {
|
||||||
|
std::stringstream fs;
|
||||||
|
fs << "MeshComponent" << N;
|
||||||
|
h5_write(gr, fs.str(), m);
|
||||||
|
return N + 1;
|
||||||
|
}
|
||||||
|
};
|
||||||
|
|
||||||
|
friend void h5_write(h5::group fg, std::string subgroup_name, mesh_product const &m) {
|
||||||
|
h5::group gr = fg.create_group(subgroup_name);
|
||||||
|
// h5_write(gr,"domain",m.domain());
|
||||||
|
triqs::tuple::fold(_auxh5w(gr), m.components(), size_t(0));
|
||||||
|
}
|
||||||
|
|
||||||
|
/// Read from HDF5
|
||||||
|
struct _auxh5r {
|
||||||
|
h5::group gr;
|
||||||
|
_auxh5r(h5::group gr_) : gr(gr_) {}
|
||||||
|
template <typename M> size_t operator()(M &m, size_t N) {
|
||||||
|
std::stringstream fs;
|
||||||
|
fs << "MeshComponent" << N;
|
||||||
|
h5_read(gr, fs.str(), m);
|
||||||
|
return N + 1;
|
||||||
|
}
|
||||||
|
};
|
||||||
|
friend void h5_read(h5::group fg, std::string subgroup_name, mesh_product &m) {
|
||||||
|
h5::group gr = fg.open_group(subgroup_name);
|
||||||
|
// h5_read(gr,"domain",m._dom);
|
||||||
|
triqs::tuple::fold(_auxh5r(gr), m.components(), size_t(0));
|
||||||
|
}
|
||||||
|
|
||||||
|
// BOOST Serialization
|
||||||
|
friend class boost::serialization::access;
|
||||||
|
template <typename Archive> struct _aux_ser {
|
||||||
|
Archive &ar;
|
||||||
|
_aux_ser(Archive &ar_) : ar(ar_) {}
|
||||||
|
template <typename M> size_t operator()(M &m, size_t N) {
|
||||||
|
std::stringstream fs;
|
||||||
|
fs << "MeshComponent" << N;
|
||||||
|
ar &boost::serialization::make_nvp(fs.str().c_str(), m);
|
||||||
|
return N + 1;
|
||||||
|
}
|
||||||
|
};
|
||||||
|
template <class Archive> void serialize(Archive &ar, const unsigned int version) {
|
||||||
|
triqs::tuple::fold(_aux_ser<Archive>(ar), m_tuple, size_t(0));
|
||||||
|
}
|
||||||
|
|
||||||
|
friend std::ostream &operator<<(std::ostream &sout, mesh_product const &m) { return sout << "Product Mesh"; }
|
||||||
|
|
||||||
|
private:
|
||||||
|
m_tuple_t m_tuple;
|
||||||
|
domain_t _dom;
|
||||||
};
|
};
|
||||||
|
|
||||||
template<int pos, typename P>
|
template <int pos, typename P> auto get_index(P const &p) DECL_AND_RETURN(std::get<pos>(p.components_tuple()).index());
|
||||||
auto get_index(P const & p) DECL_AND_RETURN( std::get<pos>(p.components_tuple()).index());
|
|
||||||
|
template <int pos, typename P>
|
||||||
|
auto get_point(P const &p)
|
||||||
|
DECL_AND_RETURN(std::get<pos>(p.mesh() -> components()).index_to_point(std::get<pos>(p.components_tuple()).index()));
|
||||||
|
|
||||||
|
template <int pos, typename P> auto get_component(P const &p) DECL_AND_RETURN(std::get<pos>(p.components_tuple()));
|
||||||
|
|
||||||
template<int pos, typename P>
|
|
||||||
auto get_point(P const & p) DECL_AND_RETURN( std::get<pos>( p.mesh()->components() ).index_to_point( std::get<pos>(p.components_tuple()).index() ) );
|
|
||||||
|
|
||||||
template<int pos, typename P>
|
|
||||||
auto get_component(P const & p) DECL_AND_RETURN( std::get<pos>(p.components_tuple()));
|
|
||||||
|
|
||||||
// Given a composite mesh m , and a linear array of storage A
|
// Given a composite mesh m , and a linear array of storage A
|
||||||
// reinterpret_linear_array(m,A) returns a d-dimensionnal view of the array
|
// reinterpret_linear_array(m,A) returns a d-dimensionnal view of the array
|
||||||
// with indices egal to the indices of the components of the mesh.
|
// with indices egal to the indices of the components of the mesh.
|
||||||
// Very useful for slicing, currying functions.
|
// Very useful for slicing, currying functions.
|
||||||
template<typename ... Meshes, typename T, ull_t OptionsFlags, ull_t To, int R , bool B, bool C>
|
template <typename... Meshes, typename T, ull_t OptionsFlags, ull_t To, int R, bool B, bool C>
|
||||||
arrays::array_view<T, sizeof...(Meshes)+ R-1,OptionsFlags,To,true,C>
|
arrays::array_view<T, sizeof...(Meshes) + R - 1, OptionsFlags, To, true, C>
|
||||||
reinterpret_linear_array(mesh_product<Meshes...> const & m, arrays::array_view<T,R,OptionsFlags,To,B,C> A) {
|
reinterpret_linear_array(mesh_product<Meshes...> const &m, arrays::array_view<T, R, OptionsFlags, To, B, C> A) {
|
||||||
return { {join (m.all_size_as_mini_vector(), get_shape(A).front_pop())}, A.storage()};
|
return {{join(m.all_size_as_mini_vector(), get_shape(A).front_pop())}, A.storage()};
|
||||||
}
|
}
|
||||||
|
}
|
||||||
}}
|
}
|
||||||
#endif
|
|
||||||
|
49
triqs/gfs/meshes/segment.hpp
Normal file
49
triqs/gfs/meshes/segment.hpp
Normal file
@ -0,0 +1,49 @@
|
|||||||
|
/*******************************************************************************
|
||||||
|
*
|
||||||
|
* TRIQS: a Toolbox for Research in Interacting Quantum Systems
|
||||||
|
*
|
||||||
|
* Copyright (C) 2013 by O. Parcollet
|
||||||
|
*
|
||||||
|
* TRIQS is free software: you can redistribute it and/or modify it under the
|
||||||
|
* terms of the GNU General Public License as published by the Free Software
|
||||||
|
* Foundation, either version 3 of the License, or (at your option) any later
|
||||||
|
* version.
|
||||||
|
*
|
||||||
|
* TRIQS is distributed in the hope that it will be useful, but WITHOUT ANY
|
||||||
|
* WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS
|
||||||
|
* FOR A PARTICULAR PURPOSE. See the GNU General Public License for more
|
||||||
|
* details.
|
||||||
|
*
|
||||||
|
* You should have received a copy of the GNU General Public License along with
|
||||||
|
* TRIQS. If not, see <http://www.gnu.org/licenses/>.
|
||||||
|
*
|
||||||
|
******************************************************************************/
|
||||||
|
#pragma once
|
||||||
|
#include "./mesh_tools.hpp"
|
||||||
|
#include "./linear.hpp"
|
||||||
|
|
||||||
|
namespace triqs {
|
||||||
|
namespace gfs {
|
||||||
|
|
||||||
|
/** A linear mesh on a segment on R */
|
||||||
|
struct segment_mesh : linear_mesh<R_domain> {
|
||||||
|
using B = linear_mesh<R_domain>;
|
||||||
|
segment_mesh() = default;
|
||||||
|
segment_mesh(double x_min, double x_max, int n_freq, mesh_kind mk = full_bins) : B(typename B::domain_t(), x_min, x_max, n_freq, mk) {}
|
||||||
|
};
|
||||||
|
|
||||||
|
//-------------------------------------------------------
|
||||||
|
|
||||||
|
/** \brief foreach for this mesh
|
||||||
|
*
|
||||||
|
* @param m : a mesh
|
||||||
|
* @param F : a function of synopsis auto F (matsubara_time_mesh::mesh_point_t)
|
||||||
|
*
|
||||||
|
* Calls F on each point of the mesh, in arbitrary order.
|
||||||
|
**/
|
||||||
|
template <typename Lambda> void foreach(segment_mesh const &m, Lambda F) {
|
||||||
|
for (auto const &w : m) F(w);
|
||||||
|
}
|
||||||
|
}
|
||||||
|
}
|
||||||
|
|
@ -1,5 +1,5 @@
|
|||||||
/*******************************************************************************
|
/*******************************************************************************
|
||||||
*
|
*
|
||||||
* TRIQS: a Toolbox for Research in Interacting Quantum Systems
|
* TRIQS: a Toolbox for Research in Interacting Quantum Systems
|
||||||
*
|
*
|
||||||
* Copyright (C) 2013 by O. Parcollet
|
* Copyright (C) 2013 by O. Parcollet
|
||||||
@ -18,86 +18,86 @@
|
|||||||
* TRIQS. If not, see <http://www.gnu.org/licenses/>.
|
* TRIQS. If not, see <http://www.gnu.org/licenses/>.
|
||||||
*
|
*
|
||||||
******************************************************************************/
|
******************************************************************************/
|
||||||
#ifndef TRIQS_GF_PRODUCT_H
|
#pragma once
|
||||||
#define TRIQS_GF_PRODUCT_H
|
|
||||||
#include "./tools.hpp"
|
#include "./tools.hpp"
|
||||||
#include "./gf.hpp"
|
#include "./gf.hpp"
|
||||||
#include "./meshes/product.hpp"
|
#include "./meshes/product.hpp"
|
||||||
#include "./evaluators.hpp"
|
#include "./evaluators.hpp"
|
||||||
|
|
||||||
namespace triqs { namespace gfs {
|
namespace triqs {
|
||||||
|
namespace gfs {
|
||||||
|
|
||||||
template<typename ... Ms> struct cartesian_product{
|
template <typename... Ms> struct cartesian_product {
|
||||||
typedef std::tuple<Ms...> type;
|
using type = std::tuple<Ms...>;
|
||||||
static constexpr size_t size = sizeof...(Ms);
|
static constexpr size_t size = sizeof...(Ms);
|
||||||
};
|
};
|
||||||
|
|
||||||
// use alias
|
// use alias
|
||||||
template<typename ... Ms> struct cartesian_product <std::tuple<Ms...>> : cartesian_product<Ms...>{};
|
template <typename... Ms> struct cartesian_product<std::tuple<Ms...>> : cartesian_product<Ms...> {};
|
||||||
|
|
||||||
// the mesh is simply a cartesian product
|
// the mesh is simply a cartesian product
|
||||||
template<typename Opt, typename ... Ms> struct gf_mesh<cartesian_product<Ms...>,Opt> : mesh_product< gf_mesh<Ms,Opt> ... > {
|
template <typename Opt, typename... Ms> struct gf_mesh<cartesian_product<Ms...>, Opt> : mesh_product<gf_mesh<Ms, Opt>...> {
|
||||||
typedef mesh_product< gf_mesh<Ms,Opt> ... > B;
|
// using mesh_product< gf_mesh<Ms,Opt> ... >::mesh_product< gf_mesh<Ms,Opt> ... > ;
|
||||||
typedef std::tuple<Ms...> mesh_name_t;
|
using B = mesh_product<gf_mesh<Ms, Opt>...>;
|
||||||
gf_mesh() = default;
|
gf_mesh() = default;
|
||||||
gf_mesh (gf_mesh<Ms,Opt> ... ms) : B {std::move(ms)...} {}
|
gf_mesh(gf_mesh<Ms, Opt>... ms) : B{std::move(ms)...} {}
|
||||||
};
|
};
|
||||||
|
|
||||||
namespace gfs_implementation {
|
namespace gfs_implementation {
|
||||||
|
|
||||||
/// --------------------------- hdf5 ---------------------------------
|
/// --------------------------- hdf5 ---------------------------------
|
||||||
|
|
||||||
// h5 name : name1_x_name2_.....
|
// h5 name : name1_x_name2_.....
|
||||||
template<typename Opt, typename ... Ms> struct h5_name<cartesian_product<Ms...>,matrix_valued,Opt> {
|
template <typename Opt, typename... Ms> struct h5_name<cartesian_product<Ms...>, matrix_valued, Opt> {
|
||||||
static std::string invoke(){
|
static std::string invoke() {
|
||||||
return triqs::tuple::fold(
|
return triqs::tuple::fold([](std::string a, std::string b) { return a + std::string(b.empty() ? "" : "_x_") + b; },
|
||||||
[](std::string a, std::string b) { return a + std::string(b.empty()?"" : "_x_") + b;},
|
std::make_tuple(h5_name<Ms, matrix_valued, Opt>::invoke()...), std::string());
|
||||||
std::make_tuple(h5_name<Ms,matrix_valued,Opt>::invoke()...),
|
|
||||||
std::string());
|
|
||||||
}
|
}
|
||||||
};
|
};
|
||||||
template<typename Opt, int R, typename ... Ms> struct h5_name<cartesian_product<Ms...>,tensor_valued<R>,Opt> : h5_name<cartesian_product<Ms...>,matrix_valued,Opt> {};
|
template <typename Opt, int R, typename... Ms>
|
||||||
|
struct h5_name<cartesian_product<Ms...>, tensor_valued<R>, Opt> : h5_name<cartesian_product<Ms...>, matrix_valued, Opt> {};
|
||||||
|
|
||||||
// a slight difference with the generic case : reinterpret the data array to avoid flattening the variables
|
// a slight difference with the generic case : reinterpret the data array to avoid flattening the variables
|
||||||
template <typename Opt, int R, typename ... Ms>
|
template <typename Opt, int R, typename... Ms> struct h5_rw<cartesian_product<Ms...>, tensor_valued<R>, Opt> {
|
||||||
struct h5_rw<cartesian_product<Ms...>,tensor_valued<R>,Opt> {
|
using g_t = gf<cartesian_product<Ms...>, tensor_valued<R>, Opt>;
|
||||||
typedef gf<cartesian_product<Ms...>,tensor_valued<R>,Opt> g_t;
|
|
||||||
|
|
||||||
static void write (h5::group gr, typename g_t::const_view_type g) {
|
static void write(h5::group gr, typename g_t::const_view_type g) {
|
||||||
h5_write(gr,"data",reinterpret_linear_array(g.mesh(), g().data()));
|
h5_write(gr, "data", reinterpret_linear_array(g.mesh(), g().data()));
|
||||||
h5_write(gr,"singularity",g._singularity);
|
h5_write(gr, "singularity", g._singularity);
|
||||||
h5_write(gr,"mesh",g._mesh);
|
h5_write(gr, "mesh", g._mesh);
|
||||||
h5_write(gr,"symmetry",g._symmetry);
|
h5_write(gr, "symmetry", g._symmetry);
|
||||||
}
|
}
|
||||||
|
|
||||||
template<bool IsView>
|
template <bool IsView>
|
||||||
static void read (h5::group gr, gf_impl<cartesian_product<Ms...>,tensor_valued<R>,Opt,IsView,false> & g) {
|
static void read(h5::group gr, gf_impl<cartesian_product<Ms...>, tensor_valued<R>, Opt, IsView, false> &g) {
|
||||||
using G_t= gf_impl<cartesian_product<Ms...>,tensor_valued<R>,Opt,IsView,false> ;
|
using G_t = gf_impl<cartesian_product<Ms...>, tensor_valued<R>, Opt, IsView, false>;
|
||||||
h5_read(gr,"mesh",g._mesh);
|
h5_read(gr, "mesh", g._mesh);
|
||||||
auto arr = arrays::array<typename G_t::data_t::value_type, sizeof...(Ms)+ R>{};
|
auto arr = arrays::array<typename G_t::data_t::value_type, sizeof...(Ms) + R>{};
|
||||||
h5_read(gr,"data",arr);
|
h5_read(gr, "data", arr);
|
||||||
auto sh = arr.shape();
|
auto sh = arr.shape();
|
||||||
arrays::mini_vector<size_t,R+1> sh2;
|
arrays::mini_vector<size_t, R + 1> sh2;
|
||||||
sh2[0] = g._mesh.size();
|
sh2[0] = g._mesh.size();
|
||||||
for (int u=1; u<R+1; ++u) sh2[u] = sh[sizeof...(Ms)-1+u];
|
for (int u = 1; u < R + 1; ++u) sh2[u] = sh[sizeof...(Ms) - 1 + u];
|
||||||
g._data = arrays::array<typename G_t::data_t::value_type, R+1>{sh2, std::move(arr.storage())};
|
g._data = arrays::array<typename G_t::data_t::value_type, R + 1>{sh2, std::move(arr.storage())};
|
||||||
h5_read(gr,"singularity",g._singularity);
|
h5_read(gr, "singularity", g._singularity);
|
||||||
h5_read(gr,"symmetry",g._symmetry);
|
h5_read(gr, "symmetry", g._symmetry);
|
||||||
}
|
}
|
||||||
|
};
|
||||||
};
|
|
||||||
|
|
||||||
/// --------------------------- data access ---------------------------------
|
/// --------------------------- data access ---------------------------------
|
||||||
|
|
||||||
template<typename Opt, typename ... Ms> struct data_proxy<cartesian_product<Ms...>,scalar_valued,Opt> : data_proxy_array<std::complex<double>,1> {};
|
template <typename Opt, typename... Ms>
|
||||||
template<typename Opt, typename ... Ms> struct data_proxy<cartesian_product<Ms...>,matrix_valued,Opt> : data_proxy_array<std::complex<double>,3> {};
|
struct data_proxy<cartesian_product<Ms...>, scalar_valued, Opt> : data_proxy_array<std::complex<double>, 1> {};
|
||||||
template<int R, typename Opt, typename ... Ms> struct data_proxy<cartesian_product<Ms...>,tensor_valued<R>,Opt> : data_proxy_array<std::complex<double>,R+1> {};
|
template <typename Opt, typename... Ms>
|
||||||
|
struct data_proxy<cartesian_product<Ms...>, matrix_valued, Opt> : data_proxy_array<std::complex<double>, 3> {};
|
||||||
|
template <int R, typename Opt, typename... Ms>
|
||||||
|
struct data_proxy<cartesian_product<Ms...>, tensor_valued<R>, Opt> : data_proxy_array<std::complex<double>, R + 1> {};
|
||||||
|
|
||||||
/// --------------------------- evaluator ---------------------------------
|
/// --------------------------- evaluator ---------------------------------
|
||||||
|
|
||||||
/**
|
/**
|
||||||
* This the multi-dimensional evaluator.
|
* This the multi-dimensional evaluator.
|
||||||
* It combine the evaluator of each components, as long as they are a linear form
|
* It combine the evaluator of each components, as long as they are a linear form
|
||||||
* eval(g, x) = \sum_i w_i g( n_i(x)) , with w some weight and n_i some points on the grid.
|
* eval(g, x) = \sum_i w_i g( n_i(x)) , with w some weight and n_i some points on the grid.
|
||||||
* Mathematically, it is written as (example of evaluating g(x1,x2,x3,x4)).
|
* Mathematically, it is written as (example of evaluating g(x1,x2,x3,x4)).
|
||||||
* Notation : eval(X) : g -> g(X)
|
* Notation : eval(X) : g -> g(X)
|
||||||
@ -110,54 +110,63 @@ namespace triqs { namespace gfs {
|
|||||||
* p_i are points on the grids, x_i points in the domain.
|
* p_i are points on the grids, x_i points in the domain.
|
||||||
*
|
*
|
||||||
* Unrolling the formula gives (for 2 variables, with 2 points interpolation)
|
* Unrolling the formula gives (for 2 variables, with 2 points interpolation)
|
||||||
* eval(xa,xb) (g) = eval (xa) ( binder ( g, (), (xb)) ) = w_1(xa) binder ( g, (), (xb))( n_1(xa)) + w_2(xa) binder ( g, (), (xb))( n_2(xa))
|
* eval(xa,xb) (g) = eval (xa) ( binder ( g, (), (xb)) ) =
|
||||||
* = w_1(xa) ( eval(xb)( binder ( g, (n_1(xa) ), ()))) + 1 <-> 2
|
* w_1(xa) binder ( g, (), (xb))( n_1(xa)) + w_2(xa) binder ( g, (), (xb))( n_2(xa))
|
||||||
* = w_1(xa) ( W_1(xb) * binder ( g, (n_1(xa) ), ())(N_1(xb)) + 1<->2 ) + 1 <-> 2
|
* = w_1(xa) ( eval(xb)( binder ( g, (n_1(xa) ), ()))) + 1 <-> 2
|
||||||
* = w_1(xa) ( W_1(xb) * g[n_1(xa), N_1(xb)] + 1<->2 ) + 1 <-> 2
|
* = w_1(xa) ( W_1(xb) * binder ( g, (n_1(xa) ), ())(N_1(xb)) + 1<->2 ) + 1 <-> 2
|
||||||
* = w_1(xa) ( W_1(xb) * g[n_1(xa), N_1(xb)] + W_2(xb) * g[n_1(xa), N_2(xb)] ) + 1 <-> 2
|
* = w_1(xa) ( W_1(xb) * g[n_1(xa), N_1(xb)] + 1<->2 ) + 1 <-> 2
|
||||||
|
* = w_1(xa) ( W_1(xb) * g[n_1(xa), N_1(xb)] + W_2(xb) * g[n_1(xa), N_2(xb)] ) + 1 <-> 2
|
||||||
* which is the expected formula
|
* which is the expected formula
|
||||||
*/
|
*/
|
||||||
// implementation : G = gf, Tn : tuple of n points, Ev : tuple of evaluators (the evals functions), pos = counter from #args-1 =>0
|
// implementation : G = gf, Tn : tuple of n points, Ev : tuple of evaluators (the evals functions),
|
||||||
|
// pos = counter from #args-1 =>0
|
||||||
// NB : the tuple is build in reverse with respect to the previous comment.
|
// NB : the tuple is build in reverse with respect to the previous comment.
|
||||||
template<typename G, typename Tn, typename Ev, int pos> struct binder;
|
template <typename G, typename Tn, typename Ev, int pos> struct binder;
|
||||||
|
|
||||||
template<int pos, typename G, typename Tn, typename Ev>
|
template <int pos, typename G, typename Tn, typename Ev> binder<G, Tn, Ev, pos> make_binder(G const *g, Tn tn, Ev const &ev) {
|
||||||
binder<G,Tn,Ev,pos> make_binder(G const * g, Tn tn, Ev const & ev) { return binder<G,Tn,Ev,pos>{g, std::move(tn), ev}; }
|
return binder<G, Tn, Ev, pos>{g, std::move(tn), ev};
|
||||||
|
}
|
||||||
|
|
||||||
template<typename G, typename Tn, typename Ev, int pos> struct binder {
|
template <typename G, typename Tn, typename Ev, int pos> struct binder {
|
||||||
G const * g; Tn tn; Ev const & evals;
|
G const *g;
|
||||||
auto operator()(size_t p) const DECL_AND_RETURN( std::get<pos>(evals) ( make_binder<pos-1>(g, triqs::tuple::push_front(tn,p), evals) ));
|
Tn tn;
|
||||||
|
Ev const &evals;
|
||||||
|
auto operator()(size_t p) const
|
||||||
|
DECL_AND_RETURN(std::get<pos>(evals)(make_binder<pos - 1>(g, triqs::tuple::push_front(tn, p), evals)));
|
||||||
};
|
};
|
||||||
|
|
||||||
template<typename G, typename Tn, typename Ev> struct binder<G,Tn,Ev,-1> {
|
template <typename G, typename Tn, typename Ev> struct binder<G, Tn, Ev, -1> {
|
||||||
G const * g; Tn tn; Ev const & evals;
|
G const *g;
|
||||||
auto operator()(size_t p) const DECL_AND_RETURN( triqs::tuple::apply(on_mesh(*g), triqs::tuple::push_front(tn,p)));
|
Tn tn;
|
||||||
|
Ev const &evals;
|
||||||
|
auto operator()(size_t p) const DECL_AND_RETURN(triqs::tuple::apply(on_mesh(*g), triqs::tuple::push_front(tn, p)));
|
||||||
};
|
};
|
||||||
|
|
||||||
// now the multi d evaluator itself.
|
// now the multi d evaluator itself.
|
||||||
template<typename Target, typename Opt, typename ... Ms>
|
template <typename Target, typename Opt, typename... Ms> struct evaluator<cartesian_product<Ms...>, Target, Opt> {
|
||||||
struct evaluator<cartesian_product<Ms...>,Target,Opt> {
|
static constexpr int arity = sizeof...(Ms);
|
||||||
static constexpr int arity = sizeof...(Ms);
|
mutable std::tuple<evaluator_fnt_on_mesh<Ms>...> evals;
|
||||||
mutable std::tuple< evaluator_fnt_on_mesh<Ms> ... > evals;
|
|
||||||
|
|
||||||
struct _poly_lambda {// replace by a polymorphic lambda in C++14
|
struct _poly_lambda { // replace by a polymorphic lambda in C++14
|
||||||
template<typename A, typename B, typename C> void operator()(A & a, B const & b, C const & c) const { a = A{b,c};}
|
template <typename A, typename B, typename C> void operator()(A &a, B const &b, C const &c) const {
|
||||||
};
|
a = A{b, c};
|
||||||
|
}
|
||||||
template<typename G, typename ... Args>
|
|
||||||
//std::complex<double> operator() (G const * g, Args && ... args) const {
|
|
||||||
auto operator() (G const * g, Args && ... args) const
|
|
||||||
-> decltype (std::get<sizeof...(Args)-1>(evals) (make_binder<sizeof...(Args)-2> (g, std::make_tuple(), evals) ))
|
|
||||||
// when do we get C++14 decltype(auto) ...!?
|
|
||||||
{
|
|
||||||
static constexpr int R = sizeof...(Args);
|
|
||||||
// build the evaluators, as a tuple of ( evaluator<Ms> ( mesh_component, args))
|
|
||||||
triqs::tuple::call_on_zip(_poly_lambda(), evals, g->mesh().components(), std::make_tuple(args...));
|
|
||||||
return std::get<R-1>(evals) (make_binder<R-2> (g, std::make_tuple(), evals) );
|
|
||||||
}
|
|
||||||
};
|
};
|
||||||
|
|
||||||
} // gf_implementation
|
template <typename G, typename... Args>
|
||||||
}}
|
// std::complex<double> operator() (G const * g, Args && ... args) const {
|
||||||
#endif
|
auto operator()(G const *g, Args &&... args)
|
||||||
|
const -> decltype(std::get<sizeof...(Args) - 1>(evals)(make_binder<sizeof...(Args) - 2>(g, std::make_tuple(), evals)))
|
||||||
|
// when do we get C++14 decltype(auto) ...!?
|
||||||
|
{
|
||||||
|
static constexpr int R = sizeof...(Args);
|
||||||
|
// build the evaluators, as a tuple of ( evaluator<Ms> ( mesh_component, args))
|
||||||
|
triqs::tuple::call_on_zip(_poly_lambda(), evals, g->mesh().components(), std::make_tuple(args...));
|
||||||
|
return std::get<R - 1>(evals)(make_binder<R - 2>(g, std::make_tuple(), evals));
|
||||||
|
}
|
||||||
|
};
|
||||||
|
|
||||||
|
} // gf_implementation
|
||||||
|
}
|
||||||
|
}
|
||||||
|
|
||||||
|
@ -2,7 +2,7 @@
|
|||||||
*
|
*
|
||||||
* TRIQS: a Toolbox for Research in Interacting Quantum Systems
|
* TRIQS: a Toolbox for Research in Interacting Quantum Systems
|
||||||
*
|
*
|
||||||
* Copyright (C) 2012 by M. Ferrero, O. Parcollet
|
* Copyright (C) 2012-2013 by O. Parcollet
|
||||||
*
|
*
|
||||||
* TRIQS is free software: you can redistribute it and/or modify it under the
|
* TRIQS is free software: you can redistribute it and/or modify it under the
|
||||||
* terms of the GNU General Public License as published by the Free Software
|
* terms of the GNU General Public License as published by the Free Software
|
||||||
@ -18,47 +18,52 @@
|
|||||||
* TRIQS. If not, see <http://www.gnu.org/licenses/>.
|
* TRIQS. If not, see <http://www.gnu.org/licenses/>.
|
||||||
*
|
*
|
||||||
******************************************************************************/
|
******************************************************************************/
|
||||||
#ifndef TRIQS_GF_FREQ_H
|
#pragma once
|
||||||
#define TRIQS_GF_FREQ_H
|
|
||||||
#include "./tools.hpp"
|
#include "./tools.hpp"
|
||||||
#include "./gf.hpp"
|
#include "./gf.hpp"
|
||||||
#include "./local/tail.hpp"
|
#include "./local/tail.hpp"
|
||||||
#include "./domains/R.hpp"
|
#include "./domains/R.hpp"
|
||||||
#include "./meshes/linear.hpp"
|
#include "./meshes/segment.hpp"
|
||||||
#include "./evaluators.hpp"
|
#include "./evaluators.hpp"
|
||||||
|
|
||||||
namespace triqs { namespace gfs {
|
namespace triqs {
|
||||||
|
namespace gfs {
|
||||||
|
|
||||||
struct refreq {};
|
struct refreq {};
|
||||||
|
|
||||||
template<typename Opt> struct gf_mesh<refreq,Opt> : linear_mesh<R_domain> {
|
template <typename Opt> struct gf_mesh<refreq, Opt> : segment_mesh {
|
||||||
typedef linear_mesh<R_domain> B;
|
template <typename... T> gf_mesh(T &&... x) : segment_mesh(std::forward<T>(x)...) {}
|
||||||
gf_mesh() = default;
|
//using segment_mesh::segment_mesh;
|
||||||
gf_mesh (double wmin, double wmax, int n_freq, mesh_kind mk=full_bins) :
|
|
||||||
B(typename B::domain_t(), wmin, wmax, n_freq, mk){}
|
|
||||||
};
|
};
|
||||||
|
|
||||||
namespace gfs_implementation {
|
namespace gfs_implementation {
|
||||||
|
|
||||||
// singularity
|
// singularity
|
||||||
template<typename Opt> struct singularity<refreq,matrix_valued,Opt> { typedef local::tail type;};
|
template <typename Opt> struct singularity<refreq, matrix_valued, Opt> {
|
||||||
template<typename Opt> struct singularity<refreq,scalar_valued,Opt> { typedef local::tail type;};
|
using type = local::tail;
|
||||||
|
};
|
||||||
|
template <typename Opt> struct singularity<refreq, scalar_valued, Opt> {
|
||||||
|
using type = local::tail;
|
||||||
|
};
|
||||||
|
|
||||||
// h5 name
|
// h5 name
|
||||||
template<typename Opt> struct h5_name<refreq,matrix_valued,Opt> { static std::string invoke(){ return "ReFreq";}};
|
template <typename Opt> struct h5_name<refreq, matrix_valued, Opt> {
|
||||||
|
static std::string invoke() { return "ReFreq"; }
|
||||||
|
};
|
||||||
|
|
||||||
/// --------------------------- evaluator ---------------------------------
|
/// --------------------------- evaluator ---------------------------------
|
||||||
|
|
||||||
template<> struct evaluator_fnt_on_mesh<refreq> TRIQS_INHERIT_AND_FORWARD_CONSTRUCTOR(evaluator_fnt_on_mesh, evaluator_grid_linear_interpolation);
|
template <>
|
||||||
|
struct evaluator_fnt_on_mesh<refreq> TRIQS_INHERIT_AND_FORWARD_CONSTRUCTOR(evaluator_fnt_on_mesh,
|
||||||
|
evaluator_grid_linear_interpolation);
|
||||||
|
|
||||||
template<typename Opt, typename Target> struct evaluator<refreq,Target,Opt> : evaluator_one_var<refreq>{};
|
template <typename Opt, typename Target> struct evaluator<refreq, Target, Opt> : evaluator_one_var<refreq> {};
|
||||||
|
|
||||||
|
|
||||||
/// --------------------------- data access ---------------------------------
|
/// --------------------------- data access ---------------------------------
|
||||||
template<typename Opt> struct data_proxy<refreq,matrix_valued,Opt> : data_proxy_array<std::complex<double>,3> {};
|
template <typename Opt> struct data_proxy<refreq, matrix_valued, Opt> : data_proxy_array<std::complex<double>, 3> {};
|
||||||
template<typename Opt> struct data_proxy<refreq,scalar_valued,Opt> : data_proxy_array<std::complex<double>,1> {};
|
template <typename Opt> struct data_proxy<refreq, scalar_valued, Opt> : data_proxy_array<std::complex<double>, 1> {};
|
||||||
|
|
||||||
}
|
}
|
||||||
}}
|
}
|
||||||
#endif
|
}
|
||||||
|
|
||||||
|
@ -2,7 +2,7 @@
|
|||||||
*
|
*
|
||||||
* TRIQS: a Toolbox for Research in Interacting Quantum Systems
|
* TRIQS: a Toolbox for Research in Interacting Quantum Systems
|
||||||
*
|
*
|
||||||
* Copyright (C) 2012 by M. Ferrero, O. Parcollet
|
* Copyright (C) 2012-2013 by O. Parcollet
|
||||||
*
|
*
|
||||||
* TRIQS is free software: you can redistribute it and/or modify it under the
|
* TRIQS is free software: you can redistribute it and/or modify it under the
|
||||||
* terms of the GNU General Public License as published by the Free Software
|
* terms of the GNU General Public License as published by the Free Software
|
||||||
@ -18,44 +18,50 @@
|
|||||||
* TRIQS. If not, see <http://www.gnu.org/licenses/>.
|
* TRIQS. If not, see <http://www.gnu.org/licenses/>.
|
||||||
*
|
*
|
||||||
******************************************************************************/
|
******************************************************************************/
|
||||||
#ifndef TRIQS_GF_ONE_REAL_TIME_H
|
#pragma once
|
||||||
#define TRIQS_GF_ONE_REAL_TIME_H
|
|
||||||
#include "./tools.hpp"
|
#include "./tools.hpp"
|
||||||
#include "./gf.hpp"
|
#include "./gf.hpp"
|
||||||
#include "./local/tail.hpp"
|
#include "./local/tail.hpp"
|
||||||
#include "./domains/R.hpp"
|
#include "./domains/R.hpp"
|
||||||
#include "./meshes/linear.hpp"
|
#include "./meshes/segment.hpp"
|
||||||
#include "./evaluators.hpp"
|
#include "./evaluators.hpp"
|
||||||
|
|
||||||
namespace triqs { namespace gfs {
|
namespace triqs {
|
||||||
|
namespace gfs {
|
||||||
|
|
||||||
struct retime {};
|
struct retime {};
|
||||||
|
|
||||||
template<typename Opt> struct gf_mesh<retime,Opt> : linear_mesh<R_domain> {
|
template <typename Opt> struct gf_mesh<retime, Opt> : segment_mesh {
|
||||||
typedef linear_mesh<R_domain> B;
|
template <typename... T> gf_mesh(T &&... x) : segment_mesh(std::forward<T>(x)...) {}
|
||||||
gf_mesh() = default;
|
//using segment_mesh::segment_mesh;
|
||||||
gf_mesh(double tmin, double tmax, int n_points, mesh_kind mk=full_bins) : B (typename B::domain_t(), tmin, tmax, n_points, mk){}
|
|
||||||
};
|
};
|
||||||
|
|
||||||
namespace gfs_implementation {
|
namespace gfs_implementation {
|
||||||
|
|
||||||
// singularity
|
// singularity
|
||||||
template<typename Opt> struct singularity<retime,matrix_valued,Opt> { typedef local::tail type;};
|
template <typename Opt> struct singularity<retime, matrix_valued, Opt> {
|
||||||
template<typename Opt> struct singularity<retime,scalar_valued,Opt> { typedef local::tail type;};
|
using type = local::tail;
|
||||||
|
};
|
||||||
|
template <typename Opt> struct singularity<retime, scalar_valued, Opt> {
|
||||||
|
using type = local::tail;
|
||||||
|
};
|
||||||
|
|
||||||
// h5 name
|
// h5 name
|
||||||
template<typename Opt> struct h5_name<retime,matrix_valued,Opt> { static std::string invoke(){ return "ReTime";}};
|
template <typename Opt> struct h5_name<retime, matrix_valued, Opt> {
|
||||||
|
static std::string invoke() { return "ReTime"; }
|
||||||
|
};
|
||||||
|
|
||||||
/// --------------------------- evaluator ---------------------------------
|
/// --------------------------- evaluator ---------------------------------
|
||||||
template<> struct evaluator_fnt_on_mesh<retime> TRIQS_INHERIT_AND_FORWARD_CONSTRUCTOR(evaluator_fnt_on_mesh, evaluator_grid_linear_interpolation);
|
template <>
|
||||||
|
struct evaluator_fnt_on_mesh<retime> TRIQS_INHERIT_AND_FORWARD_CONSTRUCTOR(evaluator_fnt_on_mesh,
|
||||||
|
evaluator_grid_linear_interpolation);
|
||||||
|
|
||||||
template<typename Opt, typename Target> struct evaluator<retime,Target,Opt> : evaluator_one_var<retime>{};
|
template <typename Opt, typename Target> struct evaluator<retime, Target, Opt> : evaluator_one_var<retime> {};
|
||||||
|
|
||||||
/// --------------------------- data access ---------------------------------
|
/// --------------------------- data access ---------------------------------
|
||||||
template<typename Opt> struct data_proxy<retime,matrix_valued,Opt> : data_proxy_array<std::complex<double>,3> {};
|
template <typename Opt> struct data_proxy<retime, matrix_valued, Opt> : data_proxy_array<std::complex<double>, 3> {};
|
||||||
template<typename Opt> struct data_proxy<retime,scalar_valued,Opt> : data_proxy_array<std::complex<double>,1> {};
|
template <typename Opt> struct data_proxy<retime, scalar_valued, Opt> : data_proxy_array<std::complex<double>, 1> {};
|
||||||
|
|
||||||
} // gfs_implementation
|
} // gfs_implementation
|
||||||
}}
|
}
|
||||||
#endif
|
}
|
||||||
|
|
||||||
|
@ -18,90 +18,89 @@
|
|||||||
* TRIQS. If not, see <http://www.gnu.org/licenses/>.
|
* TRIQS. If not, see <http://www.gnu.org/licenses/>.
|
||||||
*
|
*
|
||||||
******************************************************************************/
|
******************************************************************************/
|
||||||
#ifndef TRIQS_GF_TOOLS_H
|
#pragma once
|
||||||
#define TRIQS_GF_TOOLS_H
|
#include <triqs/arrays.hpp>
|
||||||
#include <triqs/utility/first_include.hpp>
|
|
||||||
#include <utility>
|
|
||||||
#include <boost/iterator/iterator_facade.hpp>
|
|
||||||
#include <triqs/clef.hpp>
|
|
||||||
#include <triqs/arrays/array.hpp>
|
|
||||||
#include <triqs/arrays/matrix.hpp>
|
|
||||||
#include <triqs/arrays/h5/simple_read_write.hpp>
|
|
||||||
#include "triqs/utility/complex_ops.hpp"
|
#include "triqs/utility/complex_ops.hpp"
|
||||||
#include <triqs/utility/view_tools.hpp>
|
#include <triqs/utility/view_tools.hpp>
|
||||||
#include <triqs/utility/expression_template_tools.hpp>
|
#include <triqs/utility/expression_template_tools.hpp>
|
||||||
#include <triqs/h5.hpp>
|
#include <utility>
|
||||||
|
#include <boost/iterator/iterator_facade.hpp>
|
||||||
|
|
||||||
namespace triqs { namespace gfs {
|
namespace triqs {
|
||||||
namespace tqa= triqs::arrays;
|
namespace gfs {
|
||||||
namespace mpl=boost::mpl;
|
namespace mpl = boost::mpl;
|
||||||
|
|
||||||
namespace tag { struct composite{}; struct mesh_point{};}
|
namespace tag {
|
||||||
|
struct composite {};
|
||||||
struct scalar_valued {};
|
struct mesh_point {};
|
||||||
template<int R> struct tensor_valued {static_assert( R>0, "tensor_valued only for rank >0");};
|
|
||||||
struct matrix_valued{};
|
|
||||||
|
|
||||||
//------------------------------------------------------
|
|
||||||
|
|
||||||
typedef std::complex<double> dcomplex;
|
|
||||||
|
|
||||||
enum statistic_enum {Boson,Fermion};
|
|
||||||
|
|
||||||
struct freq_infty{}; // the point at infinity
|
|
||||||
|
|
||||||
//------------------------------------------------------
|
|
||||||
|
|
||||||
inline std::vector<std::string> split(const std::string &s, char delim){
|
|
||||||
std::vector<std::string> elems;
|
|
||||||
std::stringstream ss(s);
|
|
||||||
std::string item;
|
|
||||||
while(std::getline(ss, item, delim)) { elems.push_back(item); }
|
|
||||||
return elems;
|
|
||||||
}
|
}
|
||||||
//------------------------------------------------------
|
|
||||||
|
|
||||||
template<typename ... T> struct closest_pt_wrap;
|
// scalar_valued, matrix_valued, tensor_valued
|
||||||
|
struct scalar_valued {};
|
||||||
template<typename T> struct closest_pt_wrap<T> : tag::mesh_point { T value; template<typename U> explicit closest_pt_wrap(U&&x): value(std::forward<U>(x)){} };
|
|
||||||
|
|
||||||
template<typename T1, typename T2, typename ...Ts > struct closest_pt_wrap<T1,T2,Ts...> : tag::mesh_point {
|
template <int R> struct tensor_valued {
|
||||||
std::tuple<T1,T2,Ts...> value_tuple;
|
static_assert(R > 0, "tensor_valued only for rank >0");
|
||||||
template<typename ... U> explicit closest_pt_wrap(U&& ... x): value_tuple (std::forward<U>(x) ... ){}
|
|
||||||
};
|
};
|
||||||
|
|
||||||
template<typename ... T> closest_pt_wrap<T...> closest_mesh_pt(T && ... x) { return closest_pt_wrap<T...> (std::forward<T>(x)...);}
|
struct matrix_valued {};
|
||||||
|
|
||||||
//------------------------------------------------------
|
//------------------------------------------------------
|
||||||
|
|
||||||
|
using dcomplex = std::complex<double>;
|
||||||
|
|
||||||
|
/** The statistics : Boson or Fermion
|
||||||
|
*/
|
||||||
|
enum statistic_enum {
|
||||||
|
Boson,
|
||||||
|
Fermion
|
||||||
|
};
|
||||||
|
|
||||||
|
struct freq_infty {}; // the point at infinity
|
||||||
|
|
||||||
|
//------------------------------------------------------
|
||||||
|
|
||||||
|
template <typename... T> struct closest_pt_wrap;
|
||||||
|
|
||||||
|
template <typename T> struct closest_pt_wrap<T> : tag::mesh_point {
|
||||||
|
T value;
|
||||||
|
template <typename U> explicit closest_pt_wrap(U &&x) : value(std::forward<U>(x)) {}
|
||||||
|
};
|
||||||
|
|
||||||
|
template <typename T1, typename T2, typename... Ts> struct closest_pt_wrap<T1, T2, Ts...> : tag::mesh_point {
|
||||||
|
std::tuple<T1, T2, Ts...> value_tuple;
|
||||||
|
template <typename... U> explicit closest_pt_wrap(U &&... x) : value_tuple(std::forward<U>(x)...) {}
|
||||||
|
};
|
||||||
|
|
||||||
|
template <typename... T> closest_pt_wrap<T...> closest_mesh_pt(T &&... x) {
|
||||||
|
return closest_pt_wrap<T...>{std::forward<T>(x)...};
|
||||||
|
}
|
||||||
|
|
||||||
|
//------------------------------------------------------
|
||||||
|
|
||||||
|
// A simple replacement of tail when there is none to maintain generic code simple...
|
||||||
struct nothing {
|
struct nothing {
|
||||||
template<typename... Args> explicit nothing(Args&&...) {} // takes anything, do nothing..
|
template <typename... Args> explicit nothing(Args &&...) {} // takes anything, do nothing..
|
||||||
nothing() {}
|
nothing() {}
|
||||||
typedef nothing view_type;
|
using view_type = nothing;
|
||||||
typedef nothing regular_type;
|
using regular_type = nothing;
|
||||||
void rebind (nothing){}
|
void rebind(nothing) {}
|
||||||
template< typename RHS> void operator=(RHS && ) {}
|
template <typename RHS> void operator=(RHS &&) {}
|
||||||
friend void h5_write (h5::group, std::string subgroup_name, nothing ) {}
|
friend void h5_write(h5::group, std::string subgroup_name, nothing) {}
|
||||||
friend void h5_read (h5::group, std::string subgroup_name, nothing ) {}
|
friend void h5_read(h5::group, std::string subgroup_name, nothing) {}
|
||||||
// BOOST Serialization
|
|
||||||
friend class boost::serialization::access;
|
friend class boost::serialization::access;
|
||||||
template<class Archive>
|
template <class Archive> void serialize(Archive &ar, const unsigned int version) {}
|
||||||
void serialize(Archive & ar, const unsigned int version) {
|
friend nothing operator+(nothing, nothing) { return nothing(); }
|
||||||
}
|
template <typename RHS> friend void assign_from_expression(nothing &, RHS) {}
|
||||||
friend nothing operator +( nothing, nothing) { return nothing();}
|
};
|
||||||
template<typename RHS> friend void assign_from_expression(nothing & ,RHS) {}
|
|
||||||
|
|
||||||
};
|
template <typename... T> nothing slice_target(nothing, T...) { return nothing(); }
|
||||||
|
template <typename T> nothing operator+(nothing, T const &) { return nothing(); }
|
||||||
template <typename... T> nothing slice_target(nothing, T...) { return nothing(); }
|
template <typename T> nothing operator-(nothing, T const &) { return nothing(); }
|
||||||
template <typename T> nothing operator+(nothing, T const &) { return nothing(); }
|
template <typename T> nothing operator*(nothing, T const &) { return nothing(); }
|
||||||
template <typename T> nothing operator-(nothing, T const &) { return nothing(); }
|
template <typename T> nothing operator/(nothing, T const &) { return nothing(); }
|
||||||
template <typename T> nothing operator*(nothing, T const &) { return nothing(); }
|
template <typename T> TYPE_DISABLE_IF(nothing, std::is_same<T, nothing>) operator+(T const &, nothing) { return nothing(); }
|
||||||
template <typename T> nothing operator/(nothing, T const &) { return nothing(); }
|
template <typename T> TYPE_DISABLE_IF(nothing, std::is_same<T, nothing>) operator-(T const &, nothing) { return nothing(); }
|
||||||
template <typename T> TYPE_DISABLE_IF(nothing, std::is_same<T, nothing>) operator+(T const &, nothing) { return nothing(); }
|
template <typename T> TYPE_DISABLE_IF(nothing, std::is_same<T, nothing>) operator*(T const &, nothing) { return nothing(); }
|
||||||
template <typename T> TYPE_DISABLE_IF(nothing, std::is_same<T, nothing>) operator-(T const &, nothing) { return nothing(); }
|
template <typename T> TYPE_DISABLE_IF(nothing, std::is_same<T, nothing>) operator/(T const &, nothing) { return nothing(); }
|
||||||
template <typename T> TYPE_DISABLE_IF(nothing, std::is_same<T, nothing>) operator*(T const &, nothing) { return nothing(); }
|
}
|
||||||
template <typename T> TYPE_DISABLE_IF(nothing, std::is_same<T, nothing>) operator/(T const &, nothing) { return nothing(); }
|
}
|
||||||
|
|
||||||
}}
|
|
||||||
#endif
|
|
||||||
|
Loading…
Reference in New Issue
Block a user