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Commit Graph

127 Commits

Author SHA1 Message Date
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
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
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
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
dfa27554f5 Add map<string,T> to h5 2014-06-03 18:13:14 +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
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
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
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
Olivier Parcollet
5172f342be correct include in ising2d test.
triqs include goes FIRST.
(for C++14 mode in clang, e.g.).
2014-04-25 16:07:32 +02:00
tayral
2c6da6a35a Made autocorrtime calculation from binning faster.
Bin size is doubled at each step to converge faster and reuse previous binned series.
2014-04-17 13:39:51 +02:00
tayral
572053f40d Added ising2d test for statistics. 2014-04-17 13:39:50 +02:00
Olivier Parcollet
3fd3f38446 clef: fix lazy method call for gcc
- was not compiling on gcc (forward declaration issue).
- now clearer
- add a trivial print change in the mc class (to avoid trivial commit).
2014-04-06 13:01:17 +02:00
Olivier Parcollet
efb00ea5d3 clef: first version of generic sum function
- to improve with in the case where function return an expression
  template, not a regular type, with a make_regular function
2014-04-04 17:47:21 +02:00
Olivier Parcollet
8045598534 Attempt to fix gelss call in fit_tail.
uncommenting the resize fix the issue on linux.
valgrind reports no error any more.
What was the problem ?
2014-03-19 14:01:26 +01:00
Olivier Parcollet
e1c113b745 Fix g(k,om) for tests
- evaluator
- G(k,tau) is real
- partial_eval for matrix_valued functions
- details : simplifying traits (using decay_t)
2014-02-26 16:24:51 +01:00
tayral
300b016b75 Added more detailed test of Gkom... does not compile. 2014-02-26 16:22:29 +01:00
Olivier Parcollet
73d81cc55a gf: correct bug in matsubara_freq mesh point
- bool at_end() for a mesh point means AFTER the last point ,
as end in STL. It was not correct ( +1 missing).
- also the at_end was not computed in the mesh product.
- it slightly changes the test_fit_tail --> just changed the output.
--> did this bug affect other functions/codes ?
2014-02-19 21:14:59 +01:00
tayral
8c1f7945e4 Various small fixes in imfreq Gfs.
- documentation of matsubara_freq_mesh
- fixing doc of fit_tail
- fixing right conventions for matsubara_freq_mesh
2014-02-19 11:59:47 +00:00
Olivier Parcollet
2b315fcdea gf : corrections
- correct previous commit (for scalar gf, the new check was not compiling)
- correct windowing of linear mesh (left point corrected as right point for rounding error
2014-02-18 19:25:29 +01:00
tayral
2da097991e Made test gf_notail clearer. 2014-02-18 17:15:55 +01:00
tayral
708c47305c Extending fit_tail for scalar_valued (+ test)
-> extension by using reinterpret_scalar_valued_as_matrix_valued
2014-02-18 16:16:14 +01:00
tayral
da7e7ec971 Fixed fit_tail for pos. and neg. matsub + bosonic
-> code was previously assuming mesh with only positive, fermionic matsubara freqs
-> changed wn_min to n_min (was misleading, since it was an index, not a frequency) / same for <-> max
-> changed doc accordingly
2014-02-18 16:16:14 +01:00
tayral
b129b3d17b Added basic doc + additional test for tail fitting
- added test for a 'real-life' GF + corresponding output
- added basic usage documentation for tail fitting from c++. Full implementation details yet to be written
2014-02-18 16:16:14 +01:00
tayral
82a6d21939 Fixed computation of density for full matsub mesh
-> Previously, calculation was implicitly assuming a mesh with only positive matsubara frequencies.
-> Added corresponding test
-> Also added test of density calculation with or without correct tail.
2014-02-18 16:16:14 +01:00
Olivier Parcollet
6e87bee850 lattice: clean old classes, add bz_mesh, gf on bz 2014-02-18 15:53:38 +01:00
Olivier Parcollet
96ef742344 c14, tuples : various fixes.
- Various details (for_each_enumerate impl)
- also put all tuple stuff in tuple_tools.hpp
- add std14 namespace for usage of c++14 helper types
2014-02-18 15:37:57 +01:00