LCPQ/dft_tools
3
0
Fork 0
mirror of https://github.com/triqs/dft_tools synced 2024-11-01 11:43:47 +01:00
Code Issues Releases Wiki Activity
482 Commits 10 Branches 21 Tags 85 MiB
880f30b086
Commit Graph

482 Commits

This Branch
This Branch
All Branches
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
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
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