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149 Commits

Author SHA1 Message Date
Olivier Parcollet
28ec8a0fdd [gfs] Various fixes, for paper 2014-10-20 17:09:56 +02:00
Olivier Parcollet
32500df5ba [gfs] Change bz tag to using the actual brillouin_zone class
- simpler to remember ...
- in this case, gf is specialized on the actual name of the domain.
2014-10-20 16:29:50 +02:00
Olivier Parcollet
a857aca301 Silence warnings on gcc
gcc 4.9 with -Wall -Wno-unknown-pragmas -Wno-maybe-uninitialized -Wno-sign-compare

-> uninit : not reliable apparently.
-> sign compare : to be fixed later.
-> fix all, but parenthesis suggestion
2014-10-18 21:20:42 +02:00
Olivier Parcollet
a383191789 Fix one test in gcc 2014-10-18 21:20:41 +02:00
Olivier Parcollet
0a1285405c [gfs] Lattice fourier, multivar G, curry, tail
- Add Fourier for lattice.
  - Add regular_bz_mesh, cyclic_lattice, and their FFT.

- rm freq_infty.
- The gf can now be evaluated on a tail_view, which result in composing the tail.
- Fix the following issue :
  g(om_) << g(om_ +1)
  will recompose the tail correctly.
- TODO : TEST THIS NEW FEATURE IN DETAIL.

- Work on singularity for G(x, omega)

 - Separate the factory for singularity from the data factory in gf.
 - overload assign_from_functoin (renamed).
 - Fix singularity_t and co in the gf (const issue).

- Clean tail, add tail_const_view
 - add m_tail for x -> tail on any mesh
 - test curry + fourier works on k
2014-10-18 21:20:35 +02:00
Olivier Parcollet
47cb8a03f7 [arrays] Important changes in implementation.
- Simplify group_indices
  - Only for C ordered, remove complex compile time.
  - Could be generalized to non C ordered, but no need.
- Fix slice for custom orders.
- Generalize the group_indices for the custom order.
- Add c_ordered_transposed_view (useful ?)
- Improve slice, special for ellipsis (quicker).
- Simplify TraversalOrder
- Assignement. Specialize one case for speed.
- use FORCEINLINE in foreach, according to speed test for clang
- add one speed test
- Modify iterators for better speed.
- along the lines decided for the foreach
- update doc.
2014-10-18 21:20:17 +02:00
Olivier Parcollet
672834fd68 A few parts of the lib only in C++14 mode
- multivariable gf
- some part of tuple tools.
- modified tests
2014-10-18 21:20:17 +02:00
Olivier Parcollet
f8aef6a290 [gfs] Add memory layout option 2014-10-18 21:20:17 +02:00
Olivier Parcollet
fa07abbea9 [gfs] Singularity as an explicit template parameter
- change the underlying data : do not flatten the linear indices of the
  mesh into a single index, keep a higher dim array.
- easier for various places, and necessary for g(nu,nu').
- work on several 2 part. containers.
- add default target (may not be always matrix_valued)
2014-10-18 21:20:16 +02:00
Olivier Parcollet
9c129cb224 [mpi] draft of gf support
- done Matsubara freq for testing and rereading.
- TODO: generalize to other meshes.
- draft for multi var gf
2014-10-18 21:20:01 +02:00
Hartmut Hafermann
ebbb2f0b25 [mpi] vector, test and draft of doc 2014-10-18 21:19:52 +02:00
Olivier Parcollet
38cfef4e9f Implement mpi lib (1). Array, generic, base, vector
- Implement the basic structure of the mpi lib
  and specialization for arrays, basic types, std::vector
- adapted the array class for the lazy mpi mechanism
- pass tests on arrays :
   - scatter, gather on array<long,2> array<complex,2>, etc...
   - broadcast
- several files for readibility
- the std::vector coded but not tested.
- generic mecanism implemented and tested (mpi_generic test)
- added several tests for the mpi lib.
- TODO : more tests, doc...
2014-10-18 21:19:51 +02:00
Olivier Parcollet
dddae19853 Clean old boost and old mc_tools code (v1) 2014-10-18 21:05:07 +02:00
Michel Ferrero
173a97d07c Fix for issue #134
There was a bug in the transpose of the indices. Added a test.
2014-10-09 12:46:07 +02:00
Priyanka Seth
71fa498833 API change for tail fitters
python fit_tail, replace_by_tail ==> fit_tail_depr, replace_by_tail_depr
c++ set_tail_from_fit ==> fit_tail
2014-10-01 10:52:32 +02:00
Olivier Parcollet
b31f4a0a09 Correction: include cmake dir 2014-09-19 20:52:26 +02:00
Olivier Parcollet
c9a5856fb8 [clef] Fix placeholder () and [] operators
- had been forgotten.
- modified g(k,om) test
2014-09-18 22:47:53 +02:00
Olivier Parcollet
e6234ed3d5 Fix #122
- the conj_ function was not written properly
  (T is a ref, the trait is_complex was not returning true).
- a simpler version is clearly better !
2014-09-08 20:54:59 +02:00
Olivier Parcollet
7cf7d09c77 Fix #112 and put back g +=/-= matrix for imfreq
- The issue comes from the fact that the default generated
  += and co by the Python API is the one for immutable types, like int.
- Indeed, in python, for an int :
  x=1
  id(x)
  140266967205832
  x+=1
  id(x)
  140266967205808
- For a mutable type, like a gf, it is necessary to
  add explicitly the xxx_inplace_add functions.
- Added :
   - the generation of the inplace_xxx functions
   - a method in class_ in the wrapper generator that
     deduce all += operator from the + operators.
   - this assumes that the +=, ... are defined in C++.
   - The generation of such operators are optional, with option
     with_inplace_operators in the arithmetic flag.
- Also, added the overload g += M and g -= M for
  g : GfImfreq, M a complex matrix.
  Mainly for legacy Python codes.
2014-09-06 19:07:34 +02:00
Olivier Parcollet
dcbdd5bc54 Clean the eigenelements tests.
- Clean the output of the test.
- Separate from previous commit to be able to retest previous test
  with same lib code.
2014-09-04 11:58:20 +02:00
Olivier Parcollet
9265c2db7f Fix #119
- Cleaned of the eigensystems computations (worker is simpler, decision
  at runtime, etc..).
- Fix #119 : When the matrix is in C order, the fortran lapack
  sees in fact its conjugate, so we need to conjugate the eigenvectors at the end.
  NB : not true if the storage order of the matrix is already fortran of course.
2014-09-04 11:55:32 +02:00
Michel Ferrero
58659415ad Update tests related to Fourier transforms 2014-07-02 22:56:06 +02:00
Olivier Parcollet
9583afc671 Fix #98
- A silly copy paste error : the operator - for matrix expression was
  defined twice.
- second error : a typo in unary method.
2014-07-02 18:22:25 +02:00
Olivier Parcollet
3b2372c437 python wrapper. Pre/postcall can now be inlined
- Add the possibility to give a function "on the fly"
  for the precall and postcall of a python wrapped functoin.
- No change for previous code, it is a simple new feature.
- changed test accordingly. See my_module_desc.py for an example.
2014-07-02 16:48:15 +02:00
Olivier Parcollet
4af1afbdaf hdf5 : clean up
- For users : only change is :
   H5::H5File in apps. to be replaced by triqs::h5::file, same API.

- using only the C API because :
   - it is cleaner, better documented, more examples.
   - it is the native hdf5 interface.
   - simplify the installation e.g. on mac. Indeed, hdf5 is
     usually installed without C++ interface, which is optional.
     E.g. EPD et al., brew by default.
     Also the infamous mpi+ hdf5_cpp bug, for which we have no clean solution.

- clean the notion of parent of a group. Not needed, better iterate function in C LT API.
- modified doc : no need for C++ bindings any more.
- modified cmake to avoid requiring CPP bindings.
2014-06-22 13:57:47 +02:00
Olivier Parcollet
36a60ce529 tuple tools : simplify
- simplify implementation of several functions.
- clean API, rename, etc...
- add more documentation
2014-06-21 21:11:33 +02:00
Olivier Parcollet
add3a075b7 test arrays. clean include
- clean include path.
  (pragma once issue on icc).
- clean icc debug macros
2014-06-15 18:14:06 +02:00
Olivier Parcollet
25eec4e046 Silence some gcc warnings...
- Silence some trivial warning.
- TODO: narrowing in a few places.
2014-06-12 17:45:12 +02:00
Michel Ferrero
dd42025458 Add future test for operators in parameters 2014-06-06 11:12:33 +02:00
Michel Ferrero
a56f490492 Add python test for operators 2014-06-06 10:44:50 +02:00
Michel Ferrero
62c4b54e56 Add maps to py_converters 2014-06-04 01:11:45 +02:00
Michel Ferrero
dfa27554f5 Add map<string,T> to h5 2014-06-03 18:13:14 +02:00
Michel Ferrero
e891474544 Avoid that wrap_test gets installed 2014-06-03 17:24:08 +02:00
Michel Ferrero
89de284cc8 Add test for many_body_operators 2014-06-03 17:12:29 +02:00
Michel Ferrero
bf3833f803 Fix a bug in buffered function test 2014-06-03 15:24:52 +02:00
Michel Ferrero
fa06eaf3ae Fix for issue #82 2014-06-03 15:07:38 +02:00
Olivier Parcollet
2abf36a2ff move wrap_test to test/pytriqs 2014-05-30 23:08:32 +02:00
Olivier Parcollet
2d071bb74b Remove Cython & prepare wrapper for applis.
- removed cython : macro, detection, pxd, etc...
- adapt wrapper tools for external applis.
- cleaned doc for cython
2014-05-30 19:34:13 +02:00
Olivier Parcollet
a920697e78 fixes in wrap_generator, parameters, h5 for strings
- string size in h5. Add +1 (or empty string is wrong).
- parameters : modified flags from python
- minor corrections in wrapper
2014-05-30 14:16:15 +02:00
Olivier Parcollet
e6529b608e Change implementation of random_generator & python wrapper.
- Use a new buffered_function to replace the complicated generator code from ALPS.
- Clean the implementation of the random_generator
- update the documentation
- update to the new python wrapper (could not be done with the previous
  version, because of lack of move constructor).
2014-05-29 22:25:22 +02:00
Olivier Parcollet
2b5dd322ce lattice : python wrapper 2014-05-29 22:25:22 +02:00
Olivier Parcollet
5f6dadfede gf : clean test output
- remove the tt group, we can not save a tail independantly any more,
  makes little sense.
2014-05-29 22:25:22 +02:00
Olivier Parcollet
cfe3532c94 array & gf transpose
- implement transposed_view for arrays.
- .transpose method for gf
- wrapped to python
- add call op. for GfImTime, using C++
- Added ChangeLog
- rm matrix_stack
- start cleaning old code
2014-05-22 16:08:23 +02:00
Olivier Parcollet
4789dccda6 parameters : small details
- an include missing on OS X
- change serialization in the general case where hdf5 can be used,
  (version of hdf5 high enough) to use only one buffer,
  not a buffer per field.
- put back the mpi_param example.
2014-05-21 17:51:40 +02:00
Olivier Parcollet
945116a54b Fix h5 serialization: no test for old hdf5
- if version is  < 1.8.9, the test is ignored.
2014-05-21 11:05:48 +02:00
Olivier Parcollet
ccc17bbb4e h5 serialization
- add an h5 serialization using hdf5 >= 1.8.9
  and a file in memory.
- following doc.
2014-05-20 22:24:30 +02:00
Olivier Parcollet
af084f5d59 parameters & wrapper
- new parameter class :
  parameters are viewed as form, built in C++, and filled in C++/python.
  Each field of the form as a precise C++ type (erased using standard techniques).
  First tests ok, to be reread/checked.

  TODO : serialization is commented. Lead to long compilation time & large code
  due to boost::serialization. Use h5 when possible.

- wrapper :
  - separated the converters of the wrapped type in the TRIQS library
  - necessary for parameters (it used outside an .so) and potentially
    other codes, outside an .so module
2014-05-19 15:19:18 +02:00
Olivier Parcollet
3a31077d51 gf : new wrapper 2014-05-11 21:47:52 +02:00
tayral
3aa380ba9d Fixed abs bug in bravais_lattice + added method
When constructing the last unit vector in 2D, the sanity check was wrong because of usage of abs instead of std::abs.

Added method energy_on_bz_path_2 that returns the energy *matrix* at each k point on a given path instead of the eigenvalues of this matrix. The name of the function should be changed (to energy_matrix_on_bz_path?)

Renaming energies_on_bz_path_2 to energy_matrix_on_bz_path
2014-05-08 12:09:58 +01:00
Olivier Parcollet
8c725f8d5e Work on compilation speed.
- h5/make_h5.... only used in parameters.
- old boost includes before C++11
- remove boost serialization, make macro TRIQS_MAKE_NVP temporarely
- remove boost::is_complex (can be written in 2 lines...)
- move some lib in cpp
2014-05-02 20:49:19 +02:00