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Commit Graph

256 Commits

Author SHA1 Message Date
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
Olivier Parcollet
17ab555213 gf: fix matsubara_freq and mesh_pt
- cleaner implementation, solve some bugs...
2013-11-20 15:16:53 +01:00
Olivier Parcollet
9ce291d640 gf: update gf imfreq for g( om - nu) case
DRAFT : to be tested further...

- update gf<imfreq>
- write a specific mesh for matsubara frequencies
- now the cast series is :
  mesh_pt --> matsubara_freq --> complex<double>
- matsubara_freq is just the matsubara frequency
- arithmetic of the mesh_pt casted to matsubara_freq
- arithmetic of matsubara_freq is casted to complex, except + and -,
  which are kept as matsubara_freq.
- evaluator now accept : int, mesh_pt, and matsubara_freq
  for matsubara_freq : for negative omega, use conjugation
  for omega outside windows, evaluate the tail on omega.
- as a result : g( om - nu) where om, nu are 2 meshes points,
  is the extrapolation outside the grid if necessary.
- updated tests
- added evaluation for tail.
2013-11-18 23:41:32 +01:00
Olivier Parcollet
184274c893 gf : fix bug in mesh_pt_generator
- in the default constructor, do not call the pointer
that may be null.
- appeared only in python (unused in c++), for new matsubara...
2013-11-18 23:41:32 +01:00
Olivier Parcollet
0b7bfec32e Work on doc. 2013-11-18 23:41:32 +01:00
Olivier Parcollet
e703b1e2b7 port to clang 3.4
- little narrowing details
2013-11-18 23:41:32 +01:00
Olivier Parcollet
d7cf223994 arrays: clean cache, add traits ...
- also add simple c14 helpers ....
2013-11-18 23:41:32 +01:00
Olivier Parcollet
9cdc139214 arrays: add conj function for arrays/matrix and tests
- map conj (and extend it for integers).
2013-11-18 23:41:32 +01:00
Olivier Parcollet
fa6f991473 arrays: clean h5 code
- c++11 cleaning, more doc.
- clean the array_stack and its doc.
2013-11-18 23:41:32 +01:00
Olivier Parcollet
899210ff53 arrays: fix bug in ellipsis when it is of size 0
- a(1,ellipsis()) for a an array<T,1> e.g.,
was not compiling.
- also added const_iterator for range to allow simple code :
  for (auto i : range {3,6}) ....-> i = 3,4,5 as in python
2013-11-18 23:41:32 +01:00
Olivier Parcollet
c151e63de2 arrays : rm old array_proxy
- useless old draft
2013-11-18 23:41:32 +01:00