3
0
mirror of https://github.com/triqs/dft_tools synced 2024-12-27 23:03:51 +01:00
Commit Graph

228 Commits

Author SHA1 Message Date
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
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
Olivier Parcollet
172ecaa29e add header helper files 2013-11-18 23:41:32 +01:00
Olivier Parcollet
f45dedb94e gf : improve error message 2013-11-18 23:41:32 +01:00
Olivier Parcollet
abc743c0a1 gf deprecated : correction 2013-11-05 11:39:50 +01:00
Olivier Parcollet
c1fa2c75de utility/mpi: forgot 2 inlines 2013-10-31 14:59:49 +01:00
Olivier Parcollet
8be0c208c2 gf.Fourier scalar_valued. Fix tail size
- tail is 0, but must be of dimension (1,1)
2013-10-31 14:54:43 +01:00
tayral
4c1c14b989 gf:fourier Add missing function in no_tail case
- one only the Matsubara case.
- TODO: the real omega case : decide and implement.
- impl: remove superfluous dispatch in x_impl
2013-10-31 14:41:48 +01:00
Olivier Parcollet
6326c2b4eb gf/clef. Bug fix, and added scalar->matrix reinterpret for blocks
- clef : fix a little bug in storage when evaluating
  (was using the wrong trait to deduce storage type).
- gf : block :
     - added reinterpret_scalar_valued_gf_as_matrix_valued
       for block function
     - cleaned make_block_gf_view_from_vector
     - added make_block_gf_view_from_vectormake_block_gf_view_from_vector_of_cython_proxy
       and changed the cython accordingly because it requires a slightly different syntax.
     - updated tests
- gf : cleaned some template.
2013-10-31 14:41:48 +01:00
Olivier Parcollet
2eca9d8659 clef : forgot a forward in unary operator eval 2013-10-30 13:19:58 +01:00
Olivier Parcollet
0f324df3ef gf: Fix for make_fourier in scalar_valued mode 2013-10-30 13:19:33 +01:00
Olivier Parcollet
928ef222cc [API Change] parameters: required, optional
- now chain the required

- pdef.optional( "B", short(0), " short ")
  .optional( "C", 1u, " unsigned short ")
  .optional( "D", int(2), " int ")
  .optional( "E", 3u, " unsigned int ")
  .optional( "F", long(4), " long ")
2013-10-26 14:34:10 +02:00
Olivier Parcollet
12cb2db2ba gf: fix auto_assign for chained calls.
- g[k_][om_] << expression was not working.
 now  implemented like for std::vector adapter.
2013-10-26 13:49:24 +02:00
Olivier Parcollet
579368f24b gf. Clean Fourier
- lazy_fourier and co --> fourier
- ex fourier --> make_gf_from_fourier to make a new gf
- = fourier (g) works only iif lhs is a view, like scalar.
- updated python (commented fourier method).
2013-10-23 18:46:55 +02:00
Olivier Parcollet
1d5ea99d4f gf block : clean
- clean some constructor and clang format
2013-10-23 18:08:12 +02:00
Olivier Parcollet
1b5aceb2a5 gf: Work on documentation 2013-10-22 21:29:40 +02:00
Olivier Parcollet
603e397e16 gf. Clean code, rereading for doc
- no major change. Code cleaning + clang-format.
2013-10-22 21:29:27 +02:00
Olivier Parcollet
2fc4f1cd09 gf: add rebind view/const + delete swap 2013-10-22 21:29:27 +02:00
Olivier Parcollet
de0e41ed15 gf: finish block iterator 2013-10-22 21:29:27 +02:00
Olivier Parcollet
1d929c1a91 arrays: add rebind const_view from view
- also add some static assert to forbid += and co on const_view
2013-10-22 21:29:27 +02:00
Olivier Parcollet
dcb1386630 arrays const_matrix_tensor_proxy delete = 2013-10-21 21:53:49 +02:00
Olivier Parcollet
e48a451550 gfs: cleaning code.
Using construction delegation to simplify code.
2013-10-21 21:53:49 +02:00
Olivier Parcollet
cbf2142af6 gf curry: clean call for a single index
- if the index is not a tuple, make it a tuple...
- better API.
2013-10-21 17:05:15 +02:00
Olivier Parcollet
e5648d2bfd gf : various fixes
- blocks : including the iterator
  --> there is still an issue, with the use of & intead of a view
- details after rereading...
2013-10-21 15:12:53 +02:00
Olivier Parcollet
d6cb6d2945 gf/imfreq : remove the little () workaround
- was a bug workaround. Should be ok, but
 reason of previous fix unclear. Suspicious...
- necessary to remove this :
  - it is useless normally.
  - it prevent the evaluator to work for scalar valued gf
2013-10-21 15:12:53 +02:00
Olivier Parcollet
9edda8724d implement gf_const_view 2013-10-21 15:12:53 +02:00
Olivier Parcollet
445f7d42e1 arrays: clean dead code 2013-10-21 15:12:53 +02:00
Olivier Parcollet
9002c1e456 implement array_const_view 2013-10-21 15:12:53 +02:00
Michel Ferrero
6a140d2950 Update documentation
Changelog and some updates were done.
2013-10-21 15:12:11 +02:00
Olivier Parcollet
1517cdaaeb clean the TRIQS_COMPILER macros
- from now on, C++11 compilers only.
- no ressources to maintain old stuff.
2013-10-21 15:12:08 +02:00