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work on doc for gf, and details.

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- 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, ...
This commit is contained in:
Olivier Parcollet 2013-12-30 22:31:36 +01:00
parent 59b969dbd3
commit bdac3e159c
49 changed files with 1987 additions and 1389 deletions
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2
cmake/Doxyfile.in
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@ -521,7 +521,7 @@ EXCLUDE_PATTERNS =
# The symbol name can be a fully qualified name, a word, or if the wildcard * is used,
# a substring. Examples: ANamespace, AClass, AClass::ANamespace, ANamespace::*Test
EXCLUDE_SYMBOLS = *::*details::*
EXCLUDE_SYMBOLS = *::*details::*, _aux*, *::gfs_implementation::*
# The EXAMPLE_PATH tag can be used to specify one or more files or
# directories that contain example code fragments that are included (see

6
doc/index.rst
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@ -19,9 +19,9 @@ TRIQS (**T**\oolbox for **R**\esearch on **I**\nteracting **Q**\uantum **S**\yst
is a scientific project providing a set of C++ and Python libraries to develop new tools
for the study of interacting quantum systems.
The goal of this toolkit is to provide condensed matter physicists with
The goal of this toolkit is to provide our team with
some high level, efficient and simple to use libraries in C++ and Python,
and to promote the use of modern programming techniques in our field.
and to promote the use of modern programming techniques.
TRIQS is free software (GPL).
@ -29,7 +29,7 @@ TRIQS applications
-----------------------
Based on the TRIQS toolkit, several :ref:`full-fledged applications <applications>`
are also maintained by the TRIQS collaboration. They allow for example to
are also available. They allow for example to
solve a generic quantum impurity model or to run a complete LDA+DMFT
calculation.

64
doc/installation/osx_lion.rst
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@ -4,28 +4,49 @@
.. _install_on_osx_lion:
Installing required libraries on Mac OS X
=========================================
Installing required libraries on Mac OS X [EXPERIMENTAL]
==============================================================
This is an installation guide for Os X Mountain Lion.
It may work for older
versions of Mac OS X but previous versions of Mac OS X are not supported.
Disclaimer
-------------
NB: The installation of TRIQS under previous versions of OS X requires installing clang (via Xcode).
(On Mountain Lion, clang (llvm) replaces gcc as the default C++ compiler).
We provide here some instructions to install and use TRIQS on OS X.
We strongly recommend the following installation procedure, which provides a clean way to set up all dependencies, so that all
of them are compatible with each other. Only the installation via homebrew is supported for the Mac.
While the installation of TRIQS itself is as straightforward as on Linux systems,
the installation of the standard scientific libraries used by TRIQS
(mpi, hdf5, boost, fftw, ipython, ....) is not as simple as in e.g. Debian/Ubuntu,
where they are packaged with the distribution itself (i.e. "part of the system").
.. warning::
This general problem of scientific computing on OS X is clearly
illustrated by the large number of third-party attempts
to provide "easy" installation of scientific libraries :
brew, macports, fink, Enthought Python distribution.
Because brew evolve with time, there is no notion of distribution on Mac, like e.g. Ubuntu.
So, while the procedure worked at some point, there can be no guarantee that it still does.
In our experience, none of this solution is perfect, nor complete or stable : they are still
very far from the quality and stability of a Linux distribution like Debian/Ubuntu.
It *almost* works, but at the end, there are some issues, sometimes severe,
in the way scientific librairies are installed.
(e.g. currently the default version of mpi and hdf5 installed by brew are in conflict :
the simple mpi "Hello World" crashes when linked with hdf5_cpp).
Moreover, because there is no notion of "distribution" (except in Enthought, which unfortunately is incomplete),
the versions of the libraries are always changing e.g. in brew.
As a result, the installation instructions may work on one day, and suddenly stop to work
the day after.
While this has a priori **nothing to do with TRIQS** and its applications, it clearly impacts its installation and usage.
We are looking for a more robust solution to this OS X installation mess; **help welcome !**.
In the following, we describe an installation procedure which worked (at least one day),
on 10.8 and 10.9 (at least on the Mac of one of the developer !).
Installation of the dependencies
--------------------------------
We describe an installation procedure which is known to have worked at least one day,
on 10.8 and 10.9, (at least on the Mac of one of the developer !).
1. Install `homebrew <http://mxcl.github.io/homebrew/>`_.
Run ``brew doctor`` and resolve potential conflicts before continuing.
@ -34,6 +55,7 @@ Installation of the dependencies
3. Install several packages which are needed: ::
brew tap homebrew/science
brew install cmake
brew install gfortran
brew install --enable-cxx hdf5
@ -42,11 +64,9 @@ Installation of the dependencies
brew install open-mpi
brew install zmq
brew install python
brew install doxygen
#brew formula has been repaired. Temporary using our own
#until this is back in the master.
#When 1.55 is out, the regular brew formula should work again ...
#brew formula has been repaired, since boost installation of mpi.python is a complete mess
#which needs to be fixed manually (except in Debian/Ubuntu where it is correct).
### brew install boost --without-single --with-mpi --with-c++11
brew install http://ipht.cea.fr/triqs/formulas/boost.rb --without-single --with-mpi --with-c++11 -v
@ -69,17 +89,27 @@ Installation of the dependencies
6. If you wish to compile the documentation locally, install sphinx, its dependencies and mathjax: ::
brew install doxygen
pip install sphinx
easy_install pyparsing==1.5.7
git clone https://github.com/mathjax/MathJax.git MathJax
NB : you need pyparsing <=1.5.7 since apparently v.2.0 works only for python 3.
7. If you wish to build the documentation locally,
configure TRIQS with the option -DPython_use_mpi4py=ON (workaround boost.mpi.python bug).
8. **Set up** the environment variable, e.g. in your ~/.bash_profile (workaround for issue #43) ::
export HDF5_DEBUG="all"
or your code will crash when launched without mpirun
(due to a bug in hdf5 C++/ openmpi, nothing to do with TRIQS, so we can not fix it).
Possible issues
---------------
If you encounter the following error: ::
* If you encounter the following error: ::
/usr/local/include/ft2build.h:56:38: error: freetype/config/ftheader.h: No such file or directory

8
doc/reference/c++/arrays/CMakeLists.txt
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@ -1,10 +1,10 @@
# Doxygen sources
set_property(GLOBAL APPEND PROPERTY DOXYGEN_SOURCES
${TRIQS_SOURCE_DIR}/triqs/arrays/h5/simple_read_write.hpp
#${TRIQS_SOURCE_DIR}/triqs/arrays/h5/simple_read_write.hpp
${TRIQS_SOURCE_DIR}/triqs/arrays/h5/array_stack.hpp
${TRIQS_SOURCE_DIR}/triqs/h5/group.hpp
${TRIQS_SOURCE_DIR}/triqs/arrays/array.hpp
${TRIQS_SOURCE_DIR}/triqs/arrays/matrix.hpp
${TRIQS_SOURCE_DIR}/triqs/arrays/vector.hpp
# ${TRIQS_SOURCE_DIR}/triqs/arrays/array.hpp
#${TRIQS_SOURCE_DIR}/triqs/arrays/matrix.hpp
#${TRIQS_SOURCE_DIR}/triqs/arrays/vector.hpp
)

11
doc/reference/c++/gf/CMakeLists.txt
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@ -1,3 +1,10 @@
# Doxygen sources
set_property(GLOBAL APPEND PROPERTY DOXYGEN_SOURCES ${TRIQS_SOURCE_DIR}/triqs/gfs/gf.hpp)
SET(TRIQS_GFS_SRC_DIR ${TRIQS_SOURCE_DIR}/triqs/gfs)
set_property(GLOBAL APPEND PROPERTY DOXYGEN_SOURCES
${TRIQS_GFS_SRC_DIR}/meshes/linear.hpp
${TRIQS_GFS_SRC_DIR}/meshes/matsubara_freq.hpp
${TRIQS_GFS_SRC_DIR}/meshes/matsubara_time.hpp
${TRIQS_GFS_SRC_DIR}/meshes/product.hpp
${TRIQS_GFS_SRC_DIR}/refreq.hpp
${TRIQS_GFS_SRC_DIR}/domains/matsubara.hpp
)

12
doc/reference/c++/gf/clef.rst
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@ -5,18 +5,17 @@
Interaction with CLEF expressions
============================================
* The gf containers and their view classes can be used with the :doc:`../clef/contents` library :
The gf containers and their view classes can be used with the :doc:`../clef/contents` library :
* They can be called with CLEF expressions.
* :doc:`Automatic assignment<../clef/assign>` has been set up.
* Using the CLEF library offers a quick and efficient way to fill an array with multiple advantages :
Using the CLEF library offers a quick and efficient way to fill an array with multiple advantages :
* It is simpler and more readeable than a series of for loops.
* It is usually more optimal since the for loops are automatically written in the TraversalOrder of the array.
* It is more optimal since the loops are automatically written in the best order for memory traversal.
* **Example** :
**Example** :
.. compileblock::
@ -36,9 +35,6 @@ Interaction with CLEF expressions
.. note::
The syntax uses a <<, not = since the array is not assigned to an expression
but filled by the evaluation thereof.
The LHS uses () and not brackets, even though it is on the mesh, because of the strange C++ limitation
that [] can not be overloaded for several variables...

68
doc/reference/c++/gf/concepts.rst
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@ -37,22 +37,21 @@ Domain
* **Purpose** : The domain of definition of a function. It is a mathematical definition of the domain,
and does not contain any mesh, or details on its representation in a computer.
* **Refines** : RegularType, BoostSerializable, H5-serializable.
* **Refines** : RegularType.
* **Definition** :
+----------------------------------------------------------------------------+---------------------------------------------------------------------+
+----------+--------------------------------------------------------------------+
| Elements | Comment |
+============================================================================+=====================================================================+
+==========+====================================================================+
| point_t | Type of element in the domain (int, int, double, k_vector, ...) as |
| | in the call of a function over this domain. In particular, in |
| | Matsubara, it is a complex. |
+----------------------------------------------------------------------------+---------------------------------------------------------------------+
| | in the call of a function over this domain. |
+----------+--------------------------------------------------------------------+
* **Examples** :
* Matsubara frequencies (boson/fermion)
* Matsubara time
* Matsubara frequencies (boson/fermion) : in this case, point_t is `matsubara_freq`, a simple type containing (n, beta, statistics).
* Real frequencies
* Real time
* Brillouin zone
@ -75,9 +74,7 @@ PureFunctionOnDomain
+--------------------------------------+----------------------------------------------------------+
| Elements | Comment |
+======================================+==========================================================+
| domain_t | Type of the Domain represented, modelling Domain concept |
+--------------------------------------+----------------------------------------------------------+
| domain_t const & domain() const | Returns the domain |
| domain_t const & domain() const | Returns the domain (deduced as domain_t) |
+--------------------------------------+----------------------------------------------------------+
| operator (domain_t::point_t) const | Calling for all elements of the Domain (including infty |
| | if it is in the domain... |
@ -99,38 +96,44 @@ Mesh
It does not really need to be a mesh : e.g. if the function is represented on a polynomial basis,
it is the parameters of this representation (max number of coordinates, e.g.)
* **Refines** : RegularType, HasConstIterator BoostSerializable, H5-serializable, Printable.
* **Refines** : RegularType, H5-serializable, Printable.
* **Definition** :
+--------------------------------------------------------------+-------------------------------------------------------------------------------+
+-------------------------------------------------------+-------------------------------------------------------------------------------+
| Elements | Comment |
+==============================================================+===============================================================================+
+=======================================================+===============================================================================+
| domain_t | Type of the Domain represented, modeling the Domain concept |
+--------------------------------------------------------------+-------------------------------------------------------------------------------+
+-------------------------------------------------------+-------------------------------------------------------------------------------+
| domain_t const & domain() const | Access to the domain |
+--------------------------------------------------------------+-------------------------------------------------------------------------------+
+-------------------------------------------------------+-------------------------------------------------------------------------------+
| index_t | Type of indices of a point on the grid. Typically a tuple of long or a long |
+--------------------------------------------------------------+-------------------------------------------------------------------------------+
| size_t size() const | The number of points in the mesh. |
+--------------------------------------------------------------+-------------------------------------------------------------------------------+
+-------------------------------------------------------+-------------------------------------------------------------------------------+
| long size() const | The number of points in the mesh. |
+-------------------------------------------------------+-------------------------------------------------------------------------------+
| domain_t::point_t index_to_point(index_t) const | From the index of a mesh point, compute the corresponding point in the domain |
+--------------------------------------------------------------+-------------------------------------------------------------------------------+
| size_t index_to_linear(index_t const &) const | Flattening the index of the mesh into a contiguous linear index |
+--------------------------------------------------------------+-------------------------------------------------------------------------------+
| mesh_point_t | A type modelling MeshPoint concept (see below). |
+--------------------------------------------------------------+-------------------------------------------------------------------------------+
+-------------------------------------------------------+-------------------------------------------------------------------------------+
| long index_to_linear(index_t const &) const | Flattening the index of the mesh into a contiguous linear index |
+-------------------------------------------------------+-------------------------------------------------------------------------------+
| mesh_point_t | A type modeling MeshPoint concept (see below). |
+-------------------------------------------------------+-------------------------------------------------------------------------------+
| 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 |
| | the index. |
+--------------------------------------------------------------+-------------------------------------------------------------------------------+
| free function | |
| foreach ( mesh_t, lambda) | ??????????????????????????????????? |
+--------------------------------------------------------------+-------------------------------------------------------------------------------+
| mesh_pt_generator<mesh_t> iterator | A generator of all the mesh points. |
+--------------------------------------------------------------+-------------------------------------------------------------------------------+
| const_iterator begin()/end() const | Standard access to iterator on the mesh |
| const_iterator cbegin()/cend() const | Standard access to iterator on the mesh |
+--------------------------------------------------------------+-------------------------------------------------------------------------------+
+-------------------------------------------------------+-------------------------------------------------------------------------------+
| mesh_pt_generator<mesh_t> const_iterator | A generator of all the mesh points. |
+-------------------------------------------------------+-------------------------------------------------------------------------------+
| const_iterator begin()/end() const | Standard access to iterator on the mesh Standard access to iterator on the |
| cbegin()/cend() const | mesh |
+-------------------------------------------------------+-------------------------------------------------------------------------------+
+---------------------------+-----------------------------------------------------------+
| Free functions | Comment |
+===========================+===========================================================+
| void foreach (mesh_t, F) | If F is a function of synopsis |
| | auto F( mesh_t::mesh_point_t) |
| | it calls F for each point on the mesh, in arbitrary order |
+---------------------------+-----------------------------------------------------------+
.. _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>
// which allows to evaluate the function

12
doc/reference/c++/gf/contents.rst
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@ -3,7 +3,7 @@
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.
.. warning::
@ -15,11 +15,11 @@ various Green functions.
intro
gf_and_view
gf_part_eval_curry
slicing
concepts
meshes
gf_special
clef
tail
fourier
gf_misc
concepts
implementation_notes

69
doc/reference/c++/gf/fourier.rst
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@ -6,22 +6,64 @@ Fourier transforms
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.
Synopsis and example
======================
Synopsis
=========
**Synopsis** ::
lazy_object fourier (gf<imfreq,Target,Opt> const &)
lazy_object fourier (gf_const_view<imfreq,Target,Opt> const &)
auto fourier (gf<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 &)
lazy_object inverse_fourier (gf_const_view<imfreq,Target,Opt> const &)
auto inverse_fourier (gf<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,
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.
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
=========
.. compileblock::
@ -36,21 +78,14 @@ Example
triqs::clef::placeholder<0> om_;
gw (om_) << 1/(om_-a);
gt() = inverse_fourier(gw); // fills the *View* with the contents of the FFT.
// NB : the mesh must have the same size.
// fills a full *view* of gt with the contents of the FFT
// 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
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
===========
@ -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).
*
.. toctree::
:maxdepth: 1

61
doc/reference/c++/gf/gf_and_view.rst
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@ -2,8 +2,8 @@
.. _gf_and_view:
gf and gf_view
=================
gf and views
==============
**Synopsis**:
@ -30,6 +30,9 @@ Template parameters
| 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 :
+--------------------------+--------------------------------------------+
@ -62,39 +65,6 @@ The *Target* template parameter can take the following values :
| 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
--------------------------------------
@ -165,13 +135,15 @@ Non-member functions
------------------------
+---------------------------------+-------------------------------------------+
+----------------------------------------------------------------------+------------------------------------------------------------+
| Member function | Meaning |
+=================================+===========================================+
+======================================================================+============================================================+
| :ref:`swap<gf_swap>` | Swap of 2 containers |
+---------------------------------+-------------------------------------------+
+----------------------------------------------------------------------+------------------------------------------------------------+
| :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::
@ -180,16 +152,5 @@ Non-member functions
stream
swap
Interaction with CLEF expressions
-------------------------------------
The gf containers and their view classes can be :doc:`used with the CLEF Library <clef>`.
.. toctree::
:hidden:
clef

8
doc/reference/c++/gf/gf_block.rst
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@ -2,15 +2,15 @@
.. _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.
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_view = gf_view <block_index, gf<T...>>;

80
doc/reference/c++/gf/gf_imfreq.rst
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@ -2,30 +2,71 @@
.. _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
----------------
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
-------------
: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
---------------
* If Target==scalar_valued :
* `data_t` : 1d array of complex<double>.
* 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.
@ -35,6 +76,7 @@ HDF5 storage convention
h5 tag : `ImFreq`
TODO : DECIDE if we have 2 tag, one for scalar, one for matrix....
Examples
---------
@ -43,25 +85,37 @@ Examples
.. compileblock::
#include <triqs/gfs.hpp>
using namespace triqs::gfs; using triqs::clef::placeholder;
using namespace triqs::gfs;
int main(){
double beta=10;
int Nfreq =100;
// --- first a matrix_valued function ------------
// 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 ...
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...
placeholder<0> wn_;
GF1(wn_) << 1/ (wn_ + 2);
triqs::clef::placeholder<0> wn_;
g1(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;
std::cout << g1(3) << " == "<< 1/ ( 1_j * M_PI / beta * (2*3+1) + 2) << std::endl;
// 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;
}

66
doc/reference/c++/gf/gf_imfreq_s.rst
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@ -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;
}

94
doc/reference/c++/gf/gf_imtime.rst
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@ -2,30 +2,82 @@
.. _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
----------------
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
-------------
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
---------------
* If Target==scalar_valued :
* `data_t` : 1d array of complex<double>.
* 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
---------------------------
@ -38,24 +90,38 @@ Examples
.. compileblock::
#include <triqs/gfs.hpp>
using namespace triqs::gfs; using triqs::clef::placeholder;
using namespace triqs::gfs;
int main(){
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
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 ...
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));
// Filling the gf with something... COMMENT HERE : ok only because of no_tail
triqs::clef::placeholder<0> tau_;
g1(tau_) << exp ( - a * tau_) / (1 + exp(- beta * a));
// evaluation at n=3
std::cout << make_matrix(GF1(3)) << " == "<< exp ( - a * 3) / (1 + exp(- beta * a)) << std::endl;
// 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
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@ -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} };
};

24
doc/reference/c++/gf/gf_product.rst
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@ -2,8 +2,8 @@
.. _gf_product:
Green functions on cartesian product domains
===================================================
Multiple variables
===================
.. warning::
@ -41,6 +41,17 @@ HDF5 storage convention
For convenience, in hdf5 files, the arrays has higher dimension,
so that the first indices are *not* flatten. EXPLAIN.
Functional techniques
------------------------
See :
.. toctree::
:maxdepth: 1
gf_part_eval_curry
Examples
---------
@ -76,14 +87,5 @@ Examples
}
See also :
.. toctree::
:maxdepth: 1
gf_part_eval_curry

58
doc/reference/c++/gf/gf_refreq.rst
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@ -2,26 +2,72 @@
.. _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
----------------
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
-------------
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
---------------
* If Target==scalar_valued :
* `data_t` : 1d array of complex<double>.
* 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.
@ -36,7 +82,7 @@ Examples
.. compileblock::
#include <triqs/gfs/refreq.hpp>
#include <triqs/gfs.hpp>
using namespace triqs::gfs;
int main() {

24
doc/reference/c++/gf/gf_reinterpret.rst Normal file
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@ -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.

55
doc/reference/c++/gf/gf_retime.rst
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@ -2,26 +2,73 @@
.. _gf_retime:
gf<retime>
Real time
===================================================
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
----------------
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
-------------
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
---------------
* If Target==scalar_valued :
* `data_t` : 1d array of complex<double>.
* 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.
@ -36,7 +83,7 @@ Examples
.. compileblock::
#include <triqs/gfs/retime.hpp>
#include <triqs/gfs.hpp>
using namespace triqs::gfs;
int main() {

21
doc/reference/c++/gf/gf_special.rst Normal file
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@ -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

22
doc/reference/c++/gf/meshes.rst → doc/reference/c++/gf/meshes.rst.old
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@ -1,9 +1,10 @@
.. highlight:: c
Domains & Meshes
##################
Meshes
#######
The :doxy:`full C++ documentation<triqs::gfs::matsubara_freq_mesh>` is available here.
The linear meshes
@ -100,23 +101,6 @@ The domain is the set of real numbers.
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
===================

4
triqs/arrays/h5/array_stack.hpp
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@ -27,9 +27,7 @@
namespace triqs {
namespace arrays {
/**
* The implementation class
*/
/// The implementation class
template <typename T, int R> class array_stack_impl {
static const size_t dim = R;
static const bool base_is_array = dim > 0;

1
triqs/gfs/deprecated/re_im_time.hpp
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@ -25,6 +25,7 @@
#include "../retime.hpp"
#include "../imtime.hpp"
#include "../meshes/product.hpp"
#include "./tool.hpp"
namespace triqs { namespace gfs {

43
triqs/gfs/deprecated/tool.hpp Normal file
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@ -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)...);
}
}}

1
triqs/gfs/deprecated/two_real_times.hpp
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@ -24,6 +24,7 @@
#include "../gf.hpp"
#include "../retime.hpp"
#include "../meshes/product.hpp"
#include "./tool.hpp"
namespace triqs { namespace gfs {

13
triqs/gfs/domains/R.hpp
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@ -18,23 +18,22 @@
* TRIQS. If not, see <http://www.gnu.org/licenses/>.
*
******************************************************************************/
#ifndef TRIQS_GF_DOMAIN_R_H
#define TRIQS_GF_DOMAIN_R_H
#pragma once
#include "../tools.hpp"
namespace triqs { namespace gfs {
namespace triqs {
namespace gfs {
/// The domain
struct R_domain {
typedef double point_t;
using point_t = double;
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_read(h5::group fg, std::string subgroup_name, R_domain& d) {}
friend class boost::serialization::access;
template <class Archive> void serialize(Archive& ar, const unsigned int version) {}
};
}}
#endif
}
}

51
triqs/gfs/domains/discrete.hpp
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@ -1,4 +1,3 @@
/*******************************************************************************
*
* TRIQS: a Toolbox for Research in Interacting Quantum Systems
@ -19,30 +18,36 @@
* TRIQS. If not, see <http://www.gnu.org/licenses/>.
*
******************************************************************************/
#ifndef TRIQS_GF_DISCRETE_DOMAIN_H
#define TRIQS_GF_DISCRETE_DOMAIN_H
#pragma once
#include "../tools.hpp"
#include <map>
namespace triqs { namespace gfs {
namespace triqs {
namespace gfs {
/// The domain
class discrete_domain {
size_t Nmax;
std::vector<std::string> _names;// name of the points (e.g. for block)
std::map<std::string,int> _inv_names;
int Nmax;
std::vector<std::string> _names; // optional name of the points (e.g. for block)
std::map<std::string, int> _inv_names; // table inverting the previous vector
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:
typedef long point_t;
size_t size() const { return Nmax;};
discrete_domain (size_t Nmax_=1) : Nmax(Nmax_) {
for (size_t i =0; i<Nmax; ++i) { std::stringstream fs; fs<<i; _names.push_back(fs.str());}
using point_t = int;
int size() const {
return Nmax;
};
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();
}
discrete_domain (std::vector<std::string> && Names) : Nmax(Names.size()), _names(Names) {init_inv(); }
discrete_domain (std::vector<std::string> const & 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::initializer_list<std::string> const& Names) : Nmax(Names.size()), _names(Names) { init_inv(); }
std::vector<std::string> const& names() const { return _names; }
@ -54,26 +59,26 @@ namespace triqs { namespace gfs {
friend void h5_write(h5::group fg, std::string subgroup_name, discrete_domain const& d) {
h5::group gr = fg.create_group(subgroup_name);
h5_write(gr, "n_max", d.Nmax);
// THE NAME ARE MISSING
}
/// Read from HDF5
friend void h5_read(h5::group fg, std::string subgroup_name, discrete_domain& d) {
h5::group gr = fg.open_group(subgroup_name);
long n;
int n;
h5_read(gr, "n_max", n);
d = discrete_domain(n);
// NAME ARE MISSING
}
// BOOST Serialization
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) {
ar& boost::serialization::make_nvp("n_max", Nmax);
ar& boost::serialization::make_nvp("names", _names);
ar& boost::serialization::make_nvp("names_inv", _inv_names);
}
};
}
}
};
}}
#endif

32
triqs/gfs/domains/legendre.hpp
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@ -1,4 +1,3 @@
/*******************************************************************************
*
* TRIQS: a Toolbox for Research in Interacting Quantum Systems
@ -19,26 +18,26 @@
* TRIQS. If not, see <http://www.gnu.org/licenses/>.
*
******************************************************************************/
#ifndef TRIQS_GF_LEGENDRE_DOMAIN_H
#define TRIQS_GF_LEGENDRE_DOMAIN_H
#pragma once
#include "../tools.hpp"
namespace triqs { namespace gfs {
namespace triqs {
namespace gfs {
/// The domain
class legendre_domain {
public:
double beta;
statistic_enum statistic;
size_t Nmax;
typedef long point_t;
size_t size() const { return Nmax;};
using point_t = long;
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 {
return ((std::abs(beta - D.beta) < 1.e-15) && (statistic == D.statistic) && (Nmax == D.Nmax));
@ -55,7 +54,9 @@ namespace triqs { namespace gfs {
/// Read from HDF5
friend void h5_read(h5::group fg, std::string subgroup_name, legendre_domain& d) {
h5::group gr = fg.open_group(subgroup_name);
long n; double beta; std::string statistic;
long n;
double beta;
std::string statistic;
h5_read(gr, "n_max", n);
h5_read(gr, "beta", beta);
h5_read(gr, "statistic", statistic);
@ -64,15 +65,12 @@ namespace triqs { namespace gfs {
// BOOST Serialization
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) {
ar& boost::serialization::make_nvp("n_max", Nmax);
ar& boost::serialization::make_nvp("beta", beta);
ar& boost::serialization::make_nvp("statistic", statistic);
}
};
}}
#endif
}
}

35
triqs/gfs/domains/matsubara.hpp
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@ -18,26 +18,33 @@
* TRIQS. If not, see <http://www.gnu.org/licenses/>.
*
******************************************************************************/
#ifndef TRIQS_GF_DOMAIN_MATSUBARA_H
#define TRIQS_GF_DOMAIN_MATSUBARA_H
#pragma once
#include "../tools.hpp"
#include <triqs/utility/arithmetic_ops_by_cast.hpp>
namespace triqs {
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>> {
int n;
double beta;
statistic_enum statistic;
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>;
operator cast_t() const {
return {0, M_PI * (2 * n + (statistic == Fermion ? 1 : 0)) / beta};
return {0, M_PI * (2 * n + statistic) / beta};
}
};
@ -59,12 +66,12 @@ namespace gfs {
using point_t = typename std::conditional<IsFreq, std::complex<double>, double>::type;
double beta;
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";
}
matsubara_domain() : matsubara_domain(1, Fermion) {}
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)); }
/// Write into HDF5
@ -91,7 +98,9 @@ namespace gfs {
ar &boost::serialization::make_nvp("statistic", statistic);
}
};
}
}
#endif
using matsubara_freq_domain = matsubara_domain<true>;
using matsubara_time_domain = matsubara_domain<false>;
}
}

17
triqs/gfs/domains/product.hpp
View File

@ -18,19 +18,18 @@
* TRIQS. If not, see <http://www.gnu.org/licenses/>.
*
******************************************************************************/
#ifndef TRIQS_GF_DOM_PRODUCT_H
#define TRIQS_GF_DOM_PRODUCT_H
#pragma once
#include "../tools.hpp"
namespace triqs { namespace gfs {
namespace triqs {
namespace gfs {
template<typename... Domains>
struct domain_product {
typedef std::tuple<typename Domains::point_t...> point_t;
template <typename... Domains> struct domain_product {
using point_t = std::tuple<typename Domains::point_t...>;
std::tuple<Domains...> domains;
domain_product() = default;
domain_product(Domains const&... doms) : domains(doms...) {}
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
}
}

43
triqs/gfs/evaluators.hpp
View File

@ -2,7 +2,7 @@
*
* 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
* terms of the GNU General Public License as published by the Free Software
@ -18,36 +18,38 @@
* TRIQS. If not, see <http://www.gnu.org/licenses/>.
*
******************************************************************************/
#ifndef TRIQS_GF_EVALUATOR_H
#define TRIQS_GF_EVALUATOR_H
#pragma once
#include "./tools.hpp"
#include "./gf.hpp"
namespace triqs { namespace gfs {
namespace triqs {
namespace gfs {
namespace gfs_implementation {
// simple evaluation : take the point on the grid...
struct evaluator_grid_simple {
long n;
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> 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;
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;
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;
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));
@ -57,18 +59,21 @@ namespace triqs { namespace gfs {
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)...){};};
#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 {
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();}
};
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

225
triqs/gfs/gf.hpp
View File

@ -18,8 +18,7 @@
* TRIQS. If not, see <http://www.gnu.org/licenses/>.
*
******************************************************************************/
#ifndef TRIQS_GF_GFBASECLASS_H
#define TRIQS_GF_GFBASECLASS_H
#pragma once
#include <triqs/utility/first_include.hpp>
#include <triqs/utility/std_vector_expr_template.hpp>
#include <triqs/utility/factory.hpp>
@ -29,7 +28,8 @@
#include "./tools.hpp"
#include "./data_proxies.hpp"
namespace triqs { namespace gfs {
namespace triqs {
namespace gfs {
using utility::factory;
using arrays::make_shape;
using triqs::make_clone;
@ -54,19 +54,26 @@ namespace triqs { namespace gfs {
namespace gfs_implementation { // never use using of this...
// 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
template <typename Variable, typename Target, typename Opt> struct get_closest_point;
// 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
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.
// 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;
// Traits to read/write in hdf5 files. Can be specialized for some case (Cf block). Defined below
@ -78,18 +85,6 @@ namespace triqs { namespace gfs {
} // 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
TRIQS_DEFINE_CONCEPT_AND_ASSOCIATED_TRAIT(ImmutableGreenFunction);
@ -109,32 +104,32 @@ namespace triqs { namespace gfs {
static_assert(!(!IsView && IsConst), "Internal error");
public:
typedef gf_view<Variable,Target,Opt> mutable_view_type;
typedef gf_const_view<Variable,Target,Opt> const_view_type;
typedef typename std::conditional <IsConst, const_view_type, mutable_view_type>::type view_type;
typedef gf<Variable,Target,Opt> regular_type;
using mutable_view_type = gf_view<Variable, Target, Opt>;
using const_view_type = gf_const_view<Variable, Target, Opt>;
using view_type = typename std::conditional<IsConst, const_view_type, mutable_view_type>::type;
using regular_type = gf<Variable, Target, Opt>;
typedef Variable variable_t;
typedef Target target_t;
typedef Opt option_t;
using variable_t = Variable;
using target_t = Target;
using option_t = Opt;
typedef gf_mesh<Variable,Opt> mesh_t;
typedef typename mesh_t::domain_t domain_t;
typedef typename mesh_t::mesh_point_t mesh_point_t;
typedef typename mesh_t::index_t mesh_index_t;
typedef typename gfs_implementation::symmetry<Variable,Target,Opt>::type symmetry_t;
typedef gfs_implementation::evaluator<Variable,Target,Opt> evaluator_t;
using mesh_t = gf_mesh<Variable, Opt>;
using domain_t = typename mesh_t::domain_t;
using mesh_point_t = typename mesh_t::mesh_point_t;
using mesh_index_t = typename mesh_t::index_t;
using symmetry_t = typename gfs_implementation::symmetry<Variable, Target, Opt>::type;
using evaluator_t = gfs_implementation::evaluator<Variable, Target, Opt>;
typedef gfs_implementation::data_proxy<Variable,Target,Opt> data_proxy_t;
typedef typename data_proxy_t::storage_t data_regular_t;
typedef typename data_proxy_t::storage_view_t data_view_t;
typedef typename data_proxy_t::storage_const_view_t data_const_view_t;
typedef typename std::conditional<IsView, typename std::conditional<IsConst, data_const_view_t, data_view_t>::type,
data_regular_t>::type data_t;
using data_proxy_t = gfs_implementation::data_proxy<Variable, Target, Opt>;
using data_regular_t = typename data_proxy_t::storage_t;
using data_view_t = typename data_proxy_t::storage_view_t;
using data_const_view_t = typename data_proxy_t::storage_const_view_t;
using data_t = typename std::conditional<IsView, typename std::conditional<IsConst, data_const_view_t, data_view_t>::type,
data_regular_t>::type;
typedef typename gfs_implementation::singularity<Variable,Target,Opt>::type singularity_non_view_t;
typedef typename view_type_if_exists_else_type<singularity_non_view_t>::type singularity_view_t;
typedef typename std::conditional<IsView, singularity_view_t, singularity_non_view_t>::type singularity_t;
using singularity_non_view_t = typename gfs_implementation::singularity<Variable, Target, Opt>::type;
using singularity_view_t = typename view_type_if_exists_else_type<singularity_non_view_t>::type;
using singularity_t = typename std::conditional<IsView, singularity_view_t, singularity_non_view_t>::type;
mesh_t const &mesh() const { return _mesh; }
domain_t const &domain() const { return _mesh.domain(); }
@ -198,7 +193,6 @@ namespace triqs { namespace gfs {
}
public:
// ------------- All the call operators -----------------------------
// First, a simple () returns a view, like for an array...
@ -219,8 +213,7 @@ namespace triqs { namespace gfs {
return _evaluator(this, std::forward<Args>(args)...);
}
template <typename... Args>
typename clef::_result_of::make_expr_call<gf_impl &, Args...>::type operator()(Args &&... args) & {
template <typename... Args> typename clef::_result_of::make_expr_call<gf_impl &, Args...>::type operator()(Args &&... args) & {
return clef::make_expr_call(*this, std::forward<Args>(args)...);
}
@ -235,8 +228,8 @@ namespace triqs { namespace gfs {
// ------------- All the [] operators -----------------------------
// [] and access to the grid point
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;
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;
r_type operator[](mesh_index_t const &arg) { return _data_proxy(_data, _mesh.index_to_linear(arg)); }
cr_type operator[](mesh_index_t const &arg) const { return _data_proxy(_data, _mesh.index_to_linear(arg)); }
@ -244,29 +237,36 @@ namespace triqs { namespace gfs {
r_type operator[](mesh_point_t const &x) { return _data_proxy(_data, x.linear_index()); }
cr_type operator[](mesh_point_t const &x) const { return _data_proxy(_data, x.linear_index()); }
template<typename ... U>
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)));}
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> 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)));
}
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 Arg>
typename clef::_result_of::make_expr_subscript<gf_impl const &,Arg>::type
operator[](Arg && arg) const & { return clef::make_expr_subscript(*this,std::forward<Arg>(arg));}
typename clef::_result_of::make_expr_subscript<gf_impl const &, Arg>::type operator[](Arg &&arg) const &{
return clef::make_expr_subscript(*this, std::forward<Arg>(arg));
}
template<typename Arg>
typename clef::_result_of::make_expr_subscript<gf_impl &,Arg>::type
operator[](Arg && arg) & { return clef::make_expr_subscript(*this,std::forward<Arg>(arg));}
template <typename Arg> typename clef::_result_of::make_expr_subscript<gf_impl &, Arg>::type operator[](Arg &&arg) & {
return clef::make_expr_subscript(*this, std::forward<Arg>(arg));
}
template<typename Arg>
typename clef::_result_of::make_expr_subscript<gf_impl,Arg>::type
operator[](Arg && arg) && { return clef::make_expr_subscript(std::move(*this),std::forward<Arg>(arg));}
template <typename Arg> typename clef::_result_of::make_expr_subscript<gf_impl, Arg>::type operator[](Arg &&arg) && {
return clef::make_expr_subscript(std::move(*this), std::forward<Arg>(arg));
}
/// --------------------- A direct access to the grid point --------------------------
template<typename... 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> r_type on_mesh(Args &&... args) {
return _data_proxy(_data, _mesh.index_to_linear(mesh_index_t(std::forward<Args>(args)...)));
}
template<typename... Args>
cr_type on_mesh (Args&&... args) const { return _data_proxy(_data,_mesh.index_to_linear(mesh_index_t(std::forward<Args>(args)...)));}
template <typename... Args> cr_type on_mesh(Args &&... args) const {
return _data_proxy(_data, _mesh.index_to_linear(mesh_index_t(std::forward<Args>(args)...)));
}
// The on_mesh little adaptor ....
private:
@ -289,7 +289,9 @@ namespace triqs { namespace gfs {
//----------------------------- 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>;
@ -307,14 +309,14 @@ namespace triqs { namespace gfs {
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;
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) {
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);
@ -324,10 +326,9 @@ namespace triqs { namespace gfs {
/// 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)
template <typename RHS, typename Variable, typename Target, typename Opt, bool IsView>
@ -352,7 +353,8 @@ namespace triqs { namespace gfs {
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>) {
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>
@ -368,7 +370,8 @@ namespace triqs { namespace gfs {
void triqs_clef_auto_assign_impl(gf_impl<Variable, Target, Opt, IsView, false> &g, RHS const &rhs,
std::integral_constant<bool, true>) {
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()),
std::integral_constant<bool, true>());
//(*this)[w] = triqs::tuple::apply(rhs, w.components_tuple());
}
}
@ -376,8 +379,9 @@ namespace triqs { namespace gfs {
// -------------------------The regular class of GF --------------------------------------------------------
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;
typedef gfs_implementation::factories<Variable,Target,Opt> factory;
using B = gf_impl<Variable, Target, Opt, false, false>;
using factory = gfs_implementation::factories<Variable, Target, Opt>;
public:
gf() : B() {}
gf(gf const &g) : B(g) {}
@ -394,32 +398,45 @@ 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)
: 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{} ):
B(std::move(m), factory::make_data(m,shape), factory::make_singularity(m,shape), typename B::symmetry_t {}, typename B::evaluator_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{}) {}
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 & rhs) { *this = gf(rhs); return *this;} // use move =
gf & operator = (gf && rhs) noexcept { swap(*this,rhs); return *this;}
gf &operator=(gf const &rhs) {
*this = gf(rhs);
return *this;
} // use move =
gf &operator=(gf &rhs) {
*this = gf(rhs);
return *this;
} // use move =
gf &operator=(gf &&rhs) noexcept {
swap(*this, rhs);
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]; }
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 -------------------------------------------------------
template<typename Variable, typename Target, typename Opt> class gf_view<Variable,Target,Opt,true> : public gf_impl<Variable,Target,Opt,true,true> {
typedef gf_impl<Variable,Target,Opt,true,true> B;
template <typename Variable, typename Target, typename Opt>
class gf_view<Variable, Target, Opt, true> : public gf_impl<Variable, Target, Opt, true, true> {
using B = gf_impl<Variable, Target, Opt, true, true>;
public:
gf_view() = delete;
gf_view(gf_view const &g) : B(g) {}
@ -436,7 +453,8 @@ namespace triqs { namespace gfs {
: B(m, factory<typename B::data_t>(dat), t, s, typename B::evaluator_t{}) {}
void rebind(gf_view const &X) noexcept {
this->_mesh = X._mesh; this->_symmetry = X._symmetry;
this->_mesh = X._mesh;
this->_symmetry = X._symmetry;
this->_data_proxy.rebind(this->_data, X);
this->_singularity.rebind(X._singularity);
}
@ -450,8 +468,10 @@ namespace triqs { namespace gfs {
// ------------------------- 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> {
typedef gf_impl<Variable,Target,Opt,true,false> B;
template <typename Variable, typename Target, typename Opt>
class gf_view<Variable, Target, Opt, false> : public gf_impl<Variable, Target, Opt, true, false> {
using B = gf_impl<Variable, Target, Opt, true, false>;
public:
gf_view() = delete;
gf_view(gf_view const &g) : B(g) {}
@ -470,7 +490,8 @@ namespace triqs { namespace gfs {
friend void swap(gf_view &a, gf_view &b) noexcept { a.swap_impl(b); }
void rebind(gf_view const &X) noexcept {
this->_mesh = X._mesh; this->_symmetry = X._symmetry;
this->_mesh = X._mesh;
this->_symmetry = X._symmetry;
this->_data_proxy.rebind(this->_data, X);
this->_singularity.rebind(X._singularity);
}
@ -489,7 +510,8 @@ namespace triqs { namespace gfs {
// delegate = so that I can overload it for specific 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) {
if (!(g.mesh() == rhs.mesh())) TRIQS_RUNTIME_ERROR<<"Gf Assignment in View : incompatible mesh"<<g.mesh() << " vs "<< rhs.mesh();
if (!(g.mesh() == rhs.mesh()))
TRIQS_RUNTIME_ERROR << "Gf Assignment in View : incompatible mesh" << g.mesh() << " vs " << rhs.mesh();
for (auto const &w : g.mesh()) g[w] = rhs[w];
g.singularity() = rhs.singularity();
}
@ -546,11 +568,13 @@ namespace triqs { namespace gfs {
return slice_target_to_scalar(g(), std::forward<Args>(args)...);
}
// ---------------------------------- target reinterpretation ------------------------------------
// a scalar_valued gf can be viewed as a 1x1 matrix
template <typename Variable, typename Opt, bool IsConst>
gf_view<Variable, matrix_valued, Opt, IsConst>
reinterpret_scalar_valued_gf_as_matrix_valued(gf_view<Variable, scalar_valued, Opt, IsConst> g) {
typedef typename gf_view<Variable, matrix_valued, Opt, IsConst>::data_view_t a_t;
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()};
}
@ -569,7 +593,8 @@ namespace triqs { namespace gfs {
/*
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) {
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
@ -578,9 +603,9 @@ namespace triqs { namespace gfs {
// ----- tensor_valued
template <int R, typename Var, typename Opt> struct factories<Var, tensor_valued<R>, Opt> {
typedef gf<Var, tensor_valued<R>, Opt> gf_t;
typedef tqa::mini_vector<size_t, R> target_shape_t;
typedef typename gf_t::mesh_t mesh_t;
using gf_t = gf<Var, tensor_valued<R>, Opt>;
using target_shape_t = arrays::mini_vector<size_t, R>;
using mesh_t = typename gf_t::mesh_t;
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()));
@ -595,9 +620,9 @@ namespace triqs { namespace gfs {
// ----- matrix_valued
template <typename Var, typename Opt> struct factories<Var, matrix_valued, Opt> {
typedef gf<Var, matrix_valued, Opt> gf_t;
typedef tqa::mini_vector<size_t, 2> target_shape_t;
typedef typename gf_t::mesh_t mesh_t;
using gf_t = gf<Var, matrix_valued, Opt>;
using target_shape_t = arrays::mini_vector<size_t, 2>;
using mesh_t = typename gf_t::mesh_t;
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()));
@ -612,7 +637,7 @@ namespace triqs { namespace gfs {
// ----- scalar_valued
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 {
target_shape_t front_pop() const { // this make the get_target_shape function works in this case...
return {};
@ -621,7 +646,7 @@ namespace triqs { namespace gfs {
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) {
typename gf_t::data_t A(m.size());
@ -657,9 +682,8 @@ namespace triqs { namespace gfs {
}
};
} // gfs_implementation
}}
}
}
// same as for arrays : views can not be swapped by the std::swap. Delete it
namespace std {
@ -667,4 +691,3 @@ namespace std {
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"
#endif

27
triqs/gfs/imfreq.hpp
View File

@ -2,7 +2,7 @@
*
* 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
* 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/>.
*
******************************************************************************/
#ifndef TRIQS_GF_MATSUBARA_FREQ_H
#define TRIQS_GF_MATSUBARA_FREQ_H
#pragma once
#include "./tools.hpp"
#include "./gf.hpp"
#include "./local/tail.hpp"
@ -32,22 +31,18 @@ namespace gfs {
struct imfreq {};
template <typename Opt> struct gf_mesh<imfreq, Opt> : matsubara_freq_mesh {
using B = matsubara_freq_mesh;
static double m1(double beta) { return std::acos(-1) / beta; }
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) {}
template <typename... T> gf_mesh(T &&... x) : matsubara_freq_mesh(std::forward<T>(x)...) {}
//using matsubara_freq_mesh::matsubara_freq_mesh;
};
namespace gfs_implementation {
// singularity
template <> struct singularity<imfreq, matrix_valued, void> {
typedef local::tail type;
using type = local::tail;
};
template <> struct singularity<imfreq, scalar_valued, void> {
typedef local::tail type;
using type = local::tail;
};
// h5 name
@ -124,10 +119,13 @@ namespace gfs {
#ifdef __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>
error<0> operator()(G const *g, std::complex<double>) const { return {};}
template <typename G> error<0> operator()(G const *g, std::complex<double>) const {
return {};
}
#endif
template <typename G> typename G::singularity_t const &operator()(G const *g, freq_infty const &) const {
@ -142,4 +140,3 @@ namespace gfs {
} // gfs_implementation
}
}
#endif

60
triqs/gfs/imtime.hpp
View File

@ -2,7 +2,7 @@
*
* 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
* terms of the GNU General Public License as published by the Free Software
@ -18,37 +18,39 @@
* TRIQS. If not, see <http://www.gnu.org/licenses/>.
*
******************************************************************************/
#ifndef TRIQS_GF_MATSUBARA_TIME_H
#define TRIQS_GF_MATSUBARA_TIME_H
#pragma once
#include "./tools.hpp"
#include "./gf.hpp"
#include "./local/tail.hpp"
#include "./local/no_tail.hpp"
#include "./domains/matsubara.hpp"
#include "./meshes/linear.hpp"
#include "./meshes/matsubara_time.hpp"
#include "./evaluators.hpp"
namespace triqs { namespace gfs {
namespace triqs {
namespace gfs {
struct imtime {};
// gf_mesh type and its factories
template <typename Opt> struct gf_mesh<imtime, Opt> : linear_mesh<matsubara_domain<false>> {
typedef linear_mesh<matsubara_domain<false>> B;
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) {}
template <typename Opt> struct gf_mesh<imtime, Opt> : matsubara_time_mesh {
template <typename... T> gf_mesh(T &&... x) : matsubara_time_mesh(std::forward<T>(x)...) {}
// using matsubara_time_mesh::matsubara_time_mesh;
};
namespace gfs_implementation {
// 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,scalar_valued,void> { typedef local::tail type;};
template <> struct singularity<imtime, matrix_valued, void> {
using type = local::tail;
};
template <> struct singularity<imtime, scalar_valued, void> {
using type = local::tail;
};
// 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 ---------------------------------
@ -57,11 +59,9 @@ namespace triqs { namespace gfs {
/// --------------------------- closest mesh point on the grid ---------------------------------
template<typename Opt, typename Target>
struct get_closest_point <imtime,Target,Opt> {
template <typename Opt, typename Target> struct get_closest_point<imtime, Target, Opt> {
// 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> static int invoke(G const *g, closest_pt_wrap<T> const &p) {
double x = (g->mesh().kind() == half_bins ? double(p.value) : double(p.value) + 0.5 * g->mesh().delta());
int n = std::floor(x / g->mesh().delta());
return n;
@ -71,9 +71,9 @@ namespace triqs { namespace gfs {
/// --------------------------- evaluator ---------------------------------
// this one is specific because of the beta-antiperiodicity for fermions
template<>
struct evaluator_fnt_on_mesh<imtime> {
double w1, w2; long n;
template <> struct evaluator_fnt_on_mesh<imtime> {
double w1, w2;
long n;
evaluator_fnt_on_mesh() = default;
@ -81,10 +81,17 @@ namespace triqs { namespace gfs {
double beta = m.domain().beta;
int p = std::floor(tau / beta);
tau -= p * beta;
double w; bool in;
double w;
bool in;
std::tie(in, n, w) = windowing(m, tau);
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;}
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));
@ -94,7 +101,6 @@ namespace triqs { namespace gfs {
template <typename Opt, typename Target> struct evaluator<imtime, Target, Opt> : evaluator_one_var<imtime> {};
} // gfs_implementation.
}}
#endif
}
}

2
triqs/gfs/local/fourier_matsubara.cpp
View File

@ -32,7 +32,7 @@ namespace gfs {
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) {
return -a * (b >= 0 ? exp(-b * tau) / (1 + exp(-beta * b)) : exp(b * (beta - tau)) / (1 + exp(beta * b)));

13
triqs/gfs/local/fourier_matsubara.hpp
View File

@ -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);
// 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, matrix_valued, no_tail> g, gf_keeper<tags::fourier, imtime, matrix_valued, no_tail> const& L);
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, 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) {
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>
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)};
gw() = fourier(gt);
return gw;
}
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,
mesh_kind mk = full_bins) {
gf<imtime, Target, Opt> make_gf_from_inverse_fourier(gf_impl<imfreq, Target, Opt, V, C> const& gw, mesh_kind mk = full_bins) {
auto gt = gf<imtime, Target, Opt>{make_mesh_fourier_compatible(gw.mesh(), mk), get_target_shape(gw)};
gt() = inverse_fourier(gw);
return gt;
}
}
}
namespace triqs {
namespace clef {
TRIQS_CLEF_MAKE_FNT_LAZY(fourier);
TRIQS_CLEF_MAKE_FNT_LAZY(inverse_fourier);

4
triqs/gfs/local/fourier_real.cpp
View File

@ -35,7 +35,7 @@ namespace triqs { namespace gfs {
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){
@ -83,7 +83,7 @@ namespace triqs { namespace gfs {
const double a = gw.mesh().delta() * sqrt( double(L) );
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 a1 = (t1 + I * t2/a )/2., a2 = (t1 - I * t2/a )/2.;

20
triqs/gfs/local/functions.cpp
View File

@ -24,20 +24,20 @@
namespace triqs { namespace gfs {
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
// ------------------------------------------------------
tqa::matrix<double> density( gf_view<imfreq> const & G) {
arrays::matrix<double> density( gf_view<imfreq> const & G) {
dcomplex I(0,1);
auto sh = G.data().shape().front_pop();
auto Beta = G.domain().beta;
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 !!!";
const size_t N1=sh[0], N2 = sh[1];
tqa::array<dcomplex,2> dens_part(sh), dens_tail(sh), dens(sh);
tqa::matrix<double> res(sh);
arrays::array<dcomplex,2> dens_part(sh), dens_tail(sh), dens(sh);
arrays::matrix<double> res(sh);
dens_part()=0;dens()=0;dens_tail()=0;
for (size_t n1=0; n1<N1;n1++)
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();
tqa::matrix<double> res(sh);
arrays::matrix<double> res(sh);
res() = 0.0;
for (auto l : gl.mesh()) {
@ -102,21 +102,21 @@ namespace triqs { namespace gfs {
}
// 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;
tqa::vector<double> t(gl.data().shape()[0]);
arrays::vector<double> t(gl.data().shape()[0]);
for (int i=0; i<t.size(); ++i) {
t(i) = triqs::utility::legendre_t(i,1) / gl.domain().beta;
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()) {
corr += t(l.index()) * gl[l];
}
tqa::range R;
arrays::range R;
for (auto l : gl.mesh()) {
gl.data()(l.index(),R,R) += (disc - corr) * t(l.index()) / norm;
}

6
triqs/gfs/local/functions.hpp
View File

@ -32,9 +32,9 @@ namespace triqs {
// 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);
@ -43,7 +43,7 @@ namespace triqs {
// 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...
//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));}
}

36
triqs/gfs/meshes/discrete.hpp
View File

@ -18,41 +18,40 @@
* TRIQS. If not, see <http://www.gnu.org/licenses/>.
*
******************************************************************************/
#ifndef TRIQS_GF_MESH_DISCRETE_H
#define TRIQS_GF_MESH_DISCRETE_H
#pragma once
#include "./mesh_tools.hpp"
#include "../domains/discrete.hpp"
namespace triqs { namespace gfs {
namespace triqs {
namespace gfs {
template<typename Domain>
struct discrete_mesh {
template <typename Domain> struct discrete_mesh {
typedef Domain domain_t;
typedef size_t index_t;
using domain_t = Domain;
using index_t = long;
discrete_mesh(domain_t dom) : _dom(std::move(dom)) {}
discrete_mesh() = default;
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
size_t index_to_point (index_t ind) const {return ind;}
size_t index_to_linear(index_t ind) const {return ind;}
long index_to_point(index_t ind) const { return ind; }
long index_to_linear(index_t ind) const { return ind; }
/// 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;
index_t _index;
public:
mesh_point_t() = default;
mesh_point_t(discrete_mesh const &mesh, index_t const &index_) : m(&mesh), _index(index_) {}
void advance() { ++_index; }
typedef size_t cast_t;
using cast_t = long;
operator cast_t() const { return m->index_to_point(_index); }
size_t linear_index() const { return _index;}
size_t index() const { return _index;}
long linear_index() const { return _index; }
long index() const { return _index; }
bool at_end() const { return (_index == m->size()); }
void reset() { _index = 0; }
};
@ -62,7 +61,7 @@ namespace triqs { namespace gfs {
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;
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); }
@ -88,8 +87,7 @@ namespace triqs { namespace gfs {
// BOOST Serialization
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) {
ar &boost::serialization::make_nvp("domain", _dom);
}
@ -98,6 +96,6 @@ namespace triqs { namespace gfs {
private:
domain_t _dom;
};
}}
#endif
}
}

58
triqs/gfs/meshes/linear.hpp
View File

@ -18,8 +18,7 @@
* TRIQS. If not, see <http://www.gnu.org/licenses/>.
*
******************************************************************************/
#ifndef TRIQS_GF_MESH_LINEAR_H
#define TRIQS_GF_MESH_LINEAR_H
#pragma once
#include "./mesh_tools.hpp"
namespace triqs {
namespace gfs {
@ -31,15 +30,21 @@ namespace gfs {
without_last
};
/**
* Linear mesh
*/
template <typename Domain> struct linear_mesh {
typedef Domain domain_t;
typedef size_t index_t;
typedef typename domain_t::point_t domain_pt_t;
using domain_t = Domain;
using index_t = long;
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) {}
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) {
switch (mk) {
case half_bins:
@ -59,23 +64,17 @@ namespace gfs {
}
domain_t const &domain() const { return _dom; }
size_t size() const { return L; }
long size() const { return L; }
double delta() const { return del; }
double x_max() const { return xmax; }
double x_min() const { return xmin; }
mesh_kind kind() const { return meshk; }
/// Conversions point <-> index <-> linear_index
domain_pt_t index_to_point(index_t ind) const {
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); }
domain_pt_t index_to_point(index_t ind) const { return xmin + ind * del; }
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
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(linear_mesh const &mesh, index_t const &index_) : m(&mesh), _index(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); }
size_t linear_index() const { return _index; }
size_t index() const { return _index; }
long linear_index() const { return _index; }
long index() const { return _index; }
bool at_end() const { return (_index == m->size()); }
void reset() { _index = 0; }
};
/// Accessing a point of the mesh
mesh_point_t operator[](index_t i) const { return mesh_point_t(*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); }
mesh_point_t operator[](index_t i) const {
return {*this, i};
}
public:
/// 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 end() const { return const_iterator(this, true); }
const_iterator cbegin() const { return const_iterator(this); }
@ -142,7 +139,7 @@ namespace gfs {
h5::group gr = fg.open_group(subgroup_name);
typename linear_mesh::domain_t dom;
double a, b;
size_t L;
long L;
int k;
mesh_kind mk;
h5_read(gr, "domain", dom);
@ -181,17 +178,15 @@ namespace gfs {
private:
domain_t _dom;
size_t L;
double a_pt, b_pt;
double xmin, xmax;
double del;
long L;
double a_pt, b_pt, xmin, xmax, del;
mesh_kind meshk;
};
// UNUSED
// UNUSED, only in deprecated code...
/// 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();
return std::floor(a);
}
@ -212,5 +207,4 @@ namespace gfs {
}
}
}
#endif

80
triqs/gfs/meshes/matsubara_freq.hpp
View File

@ -25,47 +25,75 @@
namespace triqs {
namespace gfs {
//----------------------------------- The mesh -----------------------------------------
struct matsubara_freq_mesh {
///
using domain_t = matsubara_domain<true>;
using index_t = int;
///
using index_t = long;
///
using domain_pt_t = typename domain_t::point_t;
/// Constructor
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) {}
/// 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; }
/** \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)); }
size_t size() const { return (_positive_only ? n_max : 2 * n_max + (_dom.statistic == Boson ? 1 : 2)); }
/// Conversions point <-> index <-> linear_index
domain_pt_t index_to_point(index_t ind) const {
return 1_j * M_PI * (2 * ind + (_dom.statistic == Fermion ? 1 : 0)) / _dom.beta;
}
/// Size (linear) of the mesh
long size() const { return (_positive_only ? n_max : 2 * n_max + (_dom.statistic == Boson ? 1 : 2)); }
public:
int index_to_linear(index_t ind) const { return ind + index_start(); }
/// From an index of a point in the mesh, returns the corresponding point in the domain
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 {
index_t index_start, index_stop;
mesh_point_t() = default;
mesh_point_t(matsubara_freq_mesh const &mesh, index_t const &index_)
: matsubara_freq(index_, mesh.domain().beta, mesh.domain().statistic),
index_start(mesh.index_start()),
index_stop(mesh.index_start() + mesh.size() - 1) {}
void advance() { ++n; }
size_t linear_index() const { return n; }
size_t index() const { return n; }
long linear_index() const { return n; }
long index() const { return n; }
bool at_end() const { return (n == index_stop); }
void reset() { n = index_start; }
private:
index_t index_start, index_stop;
};
/// Accessing a point of the mesh
mesh_point_t operator[](index_t i) const { return mesh_point_t(*this, i); }
/// Accessing a point of the mesh from its index
mesh_point_t operator[](index_t i) const {
return {*this, i};
}
/// Iterating on all the points...
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 cend() const { return const_iterator(this, true); }
/// Mesh comparison
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));
}
@ -86,8 +113,7 @@ namespace gfs {
h5_write(gr, "domain", m.domain());
h5_write(gr, "size", m.size());
if (m._positive_only) {
// h5_write(gr, "start_at_0", m._positive_only);
// kept for backward compatibility
// kept ONLY for backward compatibility of archives
auto beta = m.domain().beta;
h5_write(gr, "min", Fermion ? M_PI / beta : 0);
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};
}
// BOOST Serialization
friend class boost::serialization::access;
/// BOOST Serialization
template <class Archive> void serialize(Archive &ar, const unsigned int version) {
ar &boost::serialization::make_nvp("domain", _dom);
ar &boost::serialization::make_nvp("size", n_max);
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) {
return sout << "Matsubara Freq Mesh of size " << m.size();
}
@ -126,6 +153,19 @@ namespace gfs {
int n_max;
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
View 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);
}
}
}

178
triqs/gfs/meshes/product.hpp
View File

@ -2,7 +2,7 @@
*
* 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
* terms of the GNU General Public License as published by the Free Software
@ -18,21 +18,23 @@
* TRIQS. If not, see <http://www.gnu.org/licenses/>.
*
******************************************************************************/
#ifndef TRIQS_GF_MESH_PRODUCT_H
#define TRIQS_GF_MESH_PRODUCT_H
#pragma once
#include "./mesh_tools.hpp"
#include "../domains/product.hpp"
#include <triqs/utility/tuple_tools.hpp>
#include <triqs/utility/mini_vector.hpp>
#include <triqs/utility/c14.hpp>
namespace triqs { namespace gfs {
namespace triqs {
namespace gfs {
/** Cartesian product of meshes
*/
template <typename... Meshes> struct mesh_product : tag::composite {
typedef domain_product<typename Meshes::domain_t ... > domain_t;
typedef std::c14::tuple<typename Meshes::index_t ... > index_t;
typedef std::tuple<Meshes...> m_tuple_t;
typedef std::tuple<typename Meshes::mesh_point_t ...> m_pt_tuple_t;
typedef typename domain_t::point_t domain_pt_t;
using domain_t = domain_product<typename Meshes::domain_t...>;
using index_t = std::c14::tuple<typename Meshes::index_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);
@ -43,26 +45,66 @@ namespace triqs { namespace gfs {
m_tuple_t const &components() const { return m_tuple; }
m_tuple_t &components() { return m_tuple; }
private:
struct _aux0 {
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
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); }
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
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;}
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)); }
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)); }
// 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)); }
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));
}
//
struct _aux4 { template< typename M, typename V> V * operator()(M const & m, V * v) {*v = m.size(); return ++v;}};
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]);
@ -72,38 +114,66 @@ namespace triqs { namespace gfs {
// 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 ");
// 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()];}};
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_, 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;
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
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;}
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; }
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);}
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
@ -111,7 +181,7 @@ namespace triqs { namespace gfs {
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;
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); }
@ -120,11 +190,20 @@ namespace triqs { namespace gfs {
/// 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; }
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());
@ -133,8 +212,14 @@ namespace triqs { namespace gfs {
/// 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; }
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);
@ -145,15 +230,16 @@ namespace triqs { namespace gfs {
// BOOST Serialization
friend class boost::serialization::access;
template <typename Archive> struct _aux_ser {
Archive & ar;_aux_ser( Archive & ar_) : ar(ar_) {}
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;
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) {
template <class Archive> void serialize(Archive &ar, const unsigned int version) {
triqs::tuple::fold(_aux_ser<Archive>(ar), m_tuple, size_t(0));
}
@ -164,14 +250,13 @@ namespace triqs { namespace gfs {
domain_t _dom;
};
template<int pos, typename P>
auto get_index(P const & p) DECL_AND_RETURN( std::get<pos>(p.components_tuple()).index());
template <int pos, typename P> 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() ) );
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_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
// reinterpret_linear_array(m,A) returns a d-dimensionnal view of the array
@ -182,6 +267,5 @@ namespace triqs { namespace gfs {
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()};
}
}}
#endif
}
}

49
triqs/gfs/meshes/segment.hpp Normal file
View 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);
}
}
}

73
triqs/gfs/product.hpp
View File

@ -18,17 +18,17 @@
* TRIQS. If not, see <http://www.gnu.org/licenses/>.
*
******************************************************************************/
#ifndef TRIQS_GF_PRODUCT_H
#define TRIQS_GF_PRODUCT_H
#pragma once
#include "./tools.hpp"
#include "./gf.hpp"
#include "./meshes/product.hpp"
#include "./evaluators.hpp"
namespace triqs { namespace gfs {
namespace triqs {
namespace gfs {
template <typename... Ms> struct cartesian_product {
typedef std::tuple<Ms...> type;
using type = std::tuple<Ms...>;
static constexpr size_t size = sizeof...(Ms);
};
@ -37,8 +37,8 @@ namespace triqs { namespace gfs {
// 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>...> {
typedef mesh_product< gf_mesh<Ms,Opt> ... > B;
typedef std::tuple<Ms...> mesh_name_t;
// using mesh_product< gf_mesh<Ms,Opt> ... >::mesh_product< gf_mesh<Ms,Opt> ... > ;
using B = mesh_product<gf_mesh<Ms, Opt>...>;
gf_mesh() = default;
gf_mesh(gf_mesh<Ms, Opt>... ms) : B{std::move(ms)...} {}
};
@ -50,18 +50,16 @@ namespace triqs { namespace gfs {
// h5 name : name1_x_name2_.....
template <typename Opt, typename... Ms> struct h5_name<cartesian_product<Ms...>, matrix_valued, Opt> {
static std::string invoke() {
return triqs::tuple::fold(
[](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());
return triqs::tuple::fold([](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());
}
};
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
template <typename Opt, int R, typename ... Ms>
struct h5_rw<cartesian_product<Ms...>,tensor_valued<R>,Opt> {
typedef gf<cartesian_product<Ms...>,tensor_valued<R>,Opt> g_t;
template <typename Opt, int R, typename... Ms> struct h5_rw<cartesian_product<Ms...>, tensor_valued<R>, Opt> {
using g_t = gf<cartesian_product<Ms...>, tensor_valued<R>, Opt>;
static void write(h5::group gr, typename g_t::const_view_type g) {
h5_write(gr, "data", reinterpret_linear_array(g.mesh(), g().data()));
@ -84,14 +82,16 @@ namespace triqs { namespace gfs {
h5_read(gr, "singularity", g._singularity);
h5_read(gr, "symmetry", g._symmetry);
}
};
/// --------------------------- 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> 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> {};
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>
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 ---------------------------------
@ -110,44 +110,53 @@ namespace triqs { namespace gfs {
* p_i are points on the grids, x_i points in the domain.
*
* 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) binder ( g, (), (xb))( n_1(xa)) + w_2(xa) binder ( g, (), (xb))( n_2(xa))
* = w_1(xa) ( eval(xb)( binder ( g, (n_1(xa) ), ()))) + 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)] + 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
*/
// 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.
template <typename G, typename Tn, typename Ev, int pos> struct binder;
template<int pos, typename G, typename Tn, typename 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}; }
template <int pos, typename G, typename Tn, typename 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};
}
template <typename G, typename Tn, typename Ev, int pos> struct binder {
G const * g; 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) ));
G const *g;
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> {
G const * g; Tn tn; Ev const & evals;
G const *g;
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.
template<typename Target, typename Opt, typename ... Ms>
struct evaluator<cartesian_product<Ms...>,Target,Opt> {
template <typename Target, typename Opt, typename... Ms> struct evaluator<cartesian_product<Ms...>, Target, Opt> {
static constexpr int arity = sizeof...(Ms);
mutable std::tuple<evaluator_fnt_on_mesh<Ms>...> evals;
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) ))
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);
@ -158,6 +167,6 @@ namespace triqs { namespace gfs {
};
} // gf_implementation
}}
#endif
}
}

39
triqs/gfs/refreq.hpp
View File

@ -2,7 +2,7 @@
*
* 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
* terms of the GNU General Public License as published by the Free Software
@ -18,38 +18,44 @@
* TRIQS. If not, see <http://www.gnu.org/licenses/>.
*
******************************************************************************/
#ifndef TRIQS_GF_FREQ_H
#define TRIQS_GF_FREQ_H
#pragma once
#include "./tools.hpp"
#include "./gf.hpp"
#include "./local/tail.hpp"
#include "./domains/R.hpp"
#include "./meshes/linear.hpp"
#include "./meshes/segment.hpp"
#include "./evaluators.hpp"
namespace triqs { namespace gfs {
namespace triqs {
namespace gfs {
struct refreq {};
template<typename Opt> struct gf_mesh<refreq,Opt> : linear_mesh<R_domain> {
typedef linear_mesh<R_domain> B;
gf_mesh() = default;
gf_mesh (double wmin, double wmax, int n_freq, mesh_kind mk=full_bins) :
B(typename B::domain_t(), wmin, wmax, n_freq, mk){}
template <typename Opt> struct gf_mesh<refreq, Opt> : segment_mesh {
template <typename... T> gf_mesh(T &&... x) : segment_mesh(std::forward<T>(x)...) {}
//using segment_mesh::segment_mesh;
};
namespace gfs_implementation {
// singularity
template<typename Opt> struct singularity<refreq,matrix_valued,Opt> { typedef local::tail type;};
template<typename Opt> struct singularity<refreq,scalar_valued,Opt> { typedef local::tail type;};
template <typename Opt> struct singularity<refreq, matrix_valued, Opt> {
using type = local::tail;
};
template <typename Opt> struct singularity<refreq, scalar_valued, Opt> {
using type = local::tail;
};
// 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 ---------------------------------
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> {};
@ -57,8 +63,7 @@ namespace triqs { namespace gfs {
/// --------------------------- 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, scalar_valued, Opt> : data_proxy_array<std::complex<double>, 1> {};
}
}}
#endif
}
}

38
triqs/gfs/retime.hpp
View File

@ -2,7 +2,7 @@
*
* 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
* terms of the GNU General Public License as published by the Free Software
@ -18,36 +18,43 @@
* TRIQS. If not, see <http://www.gnu.org/licenses/>.
*
******************************************************************************/
#ifndef TRIQS_GF_ONE_REAL_TIME_H
#define TRIQS_GF_ONE_REAL_TIME_H
#pragma once
#include "./tools.hpp"
#include "./gf.hpp"
#include "./local/tail.hpp"
#include "./domains/R.hpp"
#include "./meshes/linear.hpp"
#include "./meshes/segment.hpp"
#include "./evaluators.hpp"
namespace triqs { namespace gfs {
namespace triqs {
namespace gfs {
struct retime {};
template<typename Opt> struct gf_mesh<retime,Opt> : linear_mesh<R_domain> {
typedef linear_mesh<R_domain> B;
gf_mesh() = default;
gf_mesh(double tmin, double tmax, int n_points, mesh_kind mk=full_bins) : B (typename B::domain_t(), tmin, tmax, n_points, mk){}
template <typename Opt> struct gf_mesh<retime, Opt> : segment_mesh {
template <typename... T> gf_mesh(T &&... x) : segment_mesh(std::forward<T>(x)...) {}
//using segment_mesh::segment_mesh;
};
namespace gfs_implementation {
// singularity
template<typename Opt> struct singularity<retime,matrix_valued,Opt> { typedef local::tail type;};
template<typename Opt> struct singularity<retime,scalar_valued,Opt> { typedef local::tail type;};
template <typename Opt> struct singularity<retime, matrix_valued, Opt> {
using type = local::tail;
};
template <typename Opt> struct singularity<retime, scalar_valued, Opt> {
using type = local::tail;
};
// 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 ---------------------------------
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> {};
@ -56,6 +63,5 @@ namespace triqs { namespace gfs {
template <typename Opt> struct data_proxy<retime, scalar_valued, Opt> : data_proxy_array<std::complex<double>, 1> {};
} // gfs_implementation
}}
#endif
}
}

73
triqs/gfs/tools.hpp
View File

@ -18,79 +18,79 @@
* TRIQS. If not, see <http://www.gnu.org/licenses/>.
*
******************************************************************************/
#ifndef TRIQS_GF_TOOLS_H
#define TRIQS_GF_TOOLS_H
#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>
#pragma once
#include <triqs/arrays.hpp>
#include "triqs/utility/complex_ops.hpp"
#include <triqs/utility/view_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 tqa= triqs::arrays;
namespace triqs {
namespace gfs {
namespace mpl = boost::mpl;
namespace tag { struct composite{}; struct mesh_point{};}
namespace tag {
struct composite {};
struct mesh_point {};
}
// scalar_valued, matrix_valued, tensor_valued
struct scalar_valued {};
template<int R> struct tensor_valued {static_assert( R>0, "tensor_valued only for rank >0");};
template <int R> struct tensor_valued {
static_assert(R > 0, "tensor_valued only for rank >0");
};
struct matrix_valued {};
//------------------------------------------------------
typedef std::complex<double> dcomplex;
using dcomplex = std::complex<double>;
enum statistic_enum {Boson,Fermion};
/** The statistics : Boson or Fermion
*/
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;
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 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)...);}
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 {
template <typename... Args> explicit nothing(Args &&...) {} // takes anything, do nothing..
nothing() {}
typedef nothing view_type;
typedef nothing regular_type;
using view_type = nothing;
using regular_type = nothing;
void rebind(nothing) {}
template <typename RHS> void operator=(RHS &&) {}
friend void h5_write(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;
template<class Archive>
void serialize(Archive & ar, const unsigned int version) {
}
template <class Archive> 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) {}
};
template <typename... T> nothing slice_target(nothing, T...) { return nothing(); }
@ -102,6 +102,5 @@ template <typename T> TYPE_DISABLE_IF(nothing, std::is_same<T, nothing>) operato
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
}
}