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Author SHA1 Message Date
Laura Messio
3437c2dfe9 doc: small tutorial for the GF's 2014-01-20 17:49:47 +01:00
Laura Messio
359deae18d correction of a bug in imtime (evaluator_fnt_on_mesh) + corresponding test added 2014-01-20 17:49:47 +01:00
Laura Messio
04cf39a361 deprecated gfs files removed 2014-01-20 17:49:47 +01:00
Olivier Parcollet
b2603dcf3a Fix for clang 1y with gcc lib 
- add a workaround for a gcc issue in fisrt_include.
- --> make sure that the first include is :
either a triqs lib
or first_include
 2014-01-20 10:50:52 +01:00
Olivier Parcollet
602201527d Fix #51 
- The kind() method of mesh should return a char,
like the parameter of the constructor of mesh,
not the C++ corresponding int.
- otherwise, the reduction - construction is broken
and by extension all pickling and then all mpi constructions.
 2014-01-17 21:12:24 +01:00
Olivier Parcollet
0f85b08693 add trace for ImmutableMatrix 2014-01-12 20:46:10 +01:00
Olivier Parcollet
92f4df91fe small change in clang-format config. 2014-01-12 15:07:25 +01:00
Olivier Parcollet
6820f4865a gf : target_shape_t. change size_t to int 
- to avoid narrowing pbs.
- otherwise {n,n}, with n int does not work, which is crazy.
 2014-01-10 21:47:33 +01:00
Olivier Parcollet
0cfb8be29e add one speed test ... 
machine dependant, to get an idea...
 2014-01-10 15:29:18 +01:00
Olivier Parcollet
eec9a0662a continued : further correction on mac 
The issue was the detection of clang version on mac,
depends if packaged by Apple or not...
 2014-01-09 19:42:01 +01:00
Olivier Parcollet
8f7180660f Put back the check of compiler version commented for unknown reasons... 
Probably a mistake ....
 2014-01-09 19:27:55 +01:00
Olivier Parcollet
9474937470 shared_ptr<void> can not be constructed directly in c++14 
- Fix for compilation on clang 3.4 in c++1y mode.
 2014-01-07 14:33:57 +01:00
Olivier Parcollet
b644b38a6a gf: imfreq. general case, fix python interface 
- Fix constructor, now taking n_points like the positive_only case
- Fix python, h5read, for general case (i.e. all frequencies).
 2014-01-07 14:30:40 +01:00
Olivier Parcollet
2200e2680f gf: imfreq: fix out of bound product gf imfreq 
- gf<cartesian_product<imfreq,imfreq>> was not correct
  when out bounds. Fixed evaluator.
- tensor_proxy : fix the trait for algebra which was incorrect.
- TODO: clean code (repetition, put in mesh some windowing).
 2014-01-06 19:16:25 +01:00
tayral
1b3a66af24 Fixed bug out of domain for mesh with positive and negative matsubara frequencies 2014-01-06 16:07:47 +01:00
Olivier Parcollet
53b05ad899 Fix const in apply_on_tuple 2014-01-06 16:07:47 +01:00
Olivier Parcollet
1ecec0b933 gfs: Fix bug in imfreq with <0 freq. 
- there was a confusion in gf imfreq, in the new case
where freq can be <0 (non real gf, or for product gf).
- index: is the matsubara n, as in the struct matsubara_freq
  index can be >0 or <0
- linear_index : is the shift from the 0. It is always >0.
  Fixed function to compute it.

- Also changed the construction of mesh_point in the generic iterator.
  Before, was constructed with a mesh point of index 0
  Now, added a new constructor on mesh_point_t, just taking the mesh
  which construct the *first* mesh_point.
  Fixed linear, discrete, product accordingly.
  Added to the documentation of the concepts of gf.
 2014-01-05 20:10:33 +01:00
tayral
b8e29192da gfs: Fixed bug in index_to_point. 2014-01-05 16:58:54 +01:00
tayral
cd77520a78 Add doc for tightbinding and bravaislattice. 2013-12-31 15:26:20 +01:00
tayral
c74105636c documentation for tail (python+c++) and for profiling 2013-12-31 14:38:55 +01:00
Michel Ferrero
f7fad85fca Iteration over the doc 
This is an iteration over the doc mainly thank to Priyanka.
I fixed another couple of details on the way.
 2013-12-31 14:22:00 +01:00
Olivier Parcollet
bdac3e159c work on doc for gf, and details. 
- little details : code cleaning, clang formatting,  along
with documentation writing for c++ gf.
- separated the mesh in small class for better doc.
- work on documentation : reorganize specialisation, ...
 2013-12-30 22:32:16 +01:00
Olivier Parcollet
59b969dbd3 arrays: fix mapped_function (conj overload) 
- conj overload should return complex, as in standard.
- changed the test output for mapped_function.
- fixed make_matrix_view and example in doc.
 2013-12-30 22:32:15 +01:00
Olivier Parcollet
5b8113b46a pytriqs: add option to use mpi4py instead of boost.python.mpi 
- to choose mpi4py over boost.python.mpi, pass -DPython_use_mpi4py=ON

- boost.mpi stays the default for python, but
  adding the possibility of using mpi4py instead.

- Due to numerous pbs on recent OS X + brew installation.
  boost.mpi does not work (crash in openmpi ??), mpi4py does

- the pytriqs/utility/mpi.py is now configured by the cmake (like
  version.py) to prepare one of the two possibilities.

- TODO:  not tested carefully : to be done in other machines.
 2013-12-30 22:32:09 +01:00
Olivier Parcollet
74469ad5b0 gf: generalize the constructor of gf_mesh from domain 
- to add "positive_only" flags, in the case
we need both negative and positive frequencies in matsubara.
 2013-12-27 15:18:46 +01:00
Olivier Parcollet
c0993d9db8 mc_tools : add debug print under macro 
When TRIQS_MCTOOLS_DEBUG is defined,
the qmc now reports some basic debug info
(when is a move accepted, rejected, ...).
 2013-12-23 23:21:30 +01:00
Olivier Parcollet
5f7e0989a3 gfs. Rm code introduced only for Krylov QMC 
- This function was redondant : qmc code cleaned.
- using make_clone in gfs namespace for ADL usage.
 2013-12-23 23:21:30 +01:00
Michel Ferrero
a97a4d09b6 Fix test after conj changes 
conj(double) now returns a complex. The mapped_functions test output
had to be fixed accordingly.
 2013-12-23 13:33:12 +01:00
Michel Ferrero
15f0899016 Fix missing cached key in archives 
When an object with __hdf_write__ was written in an archive, the
corresponding key was not cached. Therefore, one could not access
the object which had just been written.
 2013-12-23 13:15:27 +01:00
Olivier Parcollet
8cc5012347 Fix #42. Conj overload issue 
std::conj returns a complex according to std.
On gcc, we need to define it (bug?) but on clang libc++
it is an error.

-> one test is still failing : to be decided later
 2013-12-21 20:07:52 +01:00
Olivier Parcollet
dce4edbdde Correction: new test det_manip_constructor 
The matrix was singular !
(-> exception on OS X).
 2013-12-21 14:30:18 +01:00
Olivier Parcollet
c185be83c0 Merge pull request #41 from lmessio/master 
Changes in the doc and one bug removed in det_manip
 2013-12-21 04:43:50 -08:00
Olivier Parcollet
05a4758676 install : update boost.rb 2013-12-21 13:25:37 +01:00
Michel Ferrero
b7d7c656ce Fix a missing mask in tail fit (imfreq) 
I applied the patch provided by Thomas.

  modified:   pytriqs/gf/local/gf_imfreq.py
 2013-12-19 11:54:44 +01:00
Michel Ferrero
80eb00046f Fix tail in from_L_R in gf_generic 
The order_max was not set properly.
 2013-12-18 23:10:24 +01:00
Laura Messio
f56a0abc09 doc: typo corrected 2013-12-18 22:47:30 +01:00
Laura Messio
67a1a7c079 doc: cookbooks from det_manip and arrays harmonized 2013-12-18 15:50:18 +01:00
Laura Messio
dbe2224caf more complete cookbook for det_manip 2013-12-18 13:30:17 +01:00
Laura Messio
477f5f4ea1 bug in a det_manip constructor (from vectors for x and y values) corrected 2013-12-18 11:21:39 +01:00
Olivier Parcollet
1a0ebea512 Fix #40 2013-12-17 21:38:11 +01:00
Olivier Parcollet
cce99383ee doc : update installation requirements 2013-12-17 20:47:50 +01:00
Olivier Parcollet
ce221dfc1c gf: add negative matsubara freqs 
- add possibility of having negative matsubara freqs
in the matsubara mesh.

- TODO :
   finish imtime complex
   adapt fourier in this case
   test
 2013-12-17 15:09:34 +01:00
Michel Ferrero
255de834a2 Fix max tail order in gf_imfreq 2013-12-16 14:34:02 +01:00
Michel Ferrero
3a2d3f4012 Fix tail in update_archive 2013-12-16 14:33:19 +01:00
Olivier Parcollet
0b166461ef Add C++14 detection and flags 
- if compiler detected, compile in c++1y mode.
- override with -Dcompiler_is_c14=ON if not detected.
- compilation in c++1y on clang 3.4 ok on OS X
 2013-12-10 11:54:31 +01:00
Olivier Parcollet
02b6cedd14 callback: move to std::chrono instead of boost 
- and rm boost::function clashing with std:function
(detected by new clang).
 2013-12-10 11:52:53 +01:00
Olivier Parcollet
72b1f081ac gf: fix test_fourier_matsubara 
remove the call to implementation routines
 2013-12-04 22:24:14 +01:00
Olivier Parcollet
fb6b47cacf cmake. group c++11 flags 
Now that boost compilation is gone, no need
of that mess.
Put same compilation flags for all code.
 2013-12-04 22:24:14 +01:00
Olivier Parcollet
f6e006c2e0 gf. Correct evaluator imfreq 
- overload for matsubara_freq, not the point.
 2013-12-04 12:11:48 +01:00
Olivier Parcollet
b251929138 Work on documentation 2013-11-20 15:17:08 +01:00