3
0
mirror of https://github.com/triqs/dft_tools synced 2024-11-01 03:33:50 +01:00
Commit Graph

16 Commits

Author SHA1 Message Date
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
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
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
f6e006c2e0 gf. Correct evaluator imfreq
- overload for matsubara_freq, not the point.
2013-12-04 12:11:48 +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
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
e48a451550 gfs: cleaning code.
Using construction delegation to simplify code.
2013-10-21 21:53:49 +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
39edb2f846 [API change] gf : factories -> constructors
- Make more general constructors for the gf.
  gf( mesh, target_shape_t)
- remove the old make_gf for the basic gf.
- 2 var non generic gf removed.
- clean evaluator
- add tensor_valued
- add a simple vertex test.
- clean specialisation
- Fix bug introduced in 1906dc3
- forgot to resize the gf in new version of operator =
- Fix make_singularity in gf.hpp

- clean resize in operator =

- update h5 read/write for block gf
  - changed a bit the general trait to save *all* the gf.
  - allows a more general specialization, then a correct for blocks

- NOT FINISHED : need to save the block indice for python.
  How to reread ?
  Currently it read the blocks names and reconstitute the mesh from it.
  Is it sufficient ?

- clean block constructors

 - block constructors simplest possible : an int for the number of blocks
 - rest in free factories.
 - fixed the generic constructor from GfType for the regular type :
   only enable iif GfType is ImmutableGreenFunction

- multivar. fix linear index in C, and h5 format

  - linear index now correctly flatten in C mode
    (was in fortran mode), using a simple reverse of the tuple in the folding.
  - fix the h5 read write of the multivar fonctions
   in order to write an array on dimension # variables + dim_target
   i.e. without flattening the indices of the meshes.
   Easier for later data analysis, e.g. in Python.

- merge matrix/tensor_valued. improve factories

  - matrix_valued now = tensor_valued<2>
    (simplifies generic code for h5).
  - factories_one_var -> factories : this is the generic case ...
    only a few specialization, code is simpler.

- clef expression call with rvalue for *this
- generalize matrix_proxy to tensor and clean

 - clean exception catch in tests

  - exception catching catch in need in test
    because the silly OS X does not print anything, just "exception occurred".
    Very convenient for the developer...
  - BUT, one MUST add return 1, or the make test will *pass* !!
  - --> systematically replace the catch by a macro TRIQS_CATCH_AND_ABORT
    which return a non zero error code.
   - exception : curry_and_fourier which does not work at this stage
   (mesh incompatible).

- gf: clean draft of gf 2 times
  - comment the python interface for the moment.
  - rm useless tests
2013-10-21 15:11:44 +02:00
Olivier Parcollet
b45045e81c gfs: change the name of the mesh -> gf_mesh for gcc
gcc has a pb because the template mesh<Variable,Opt>
has the name same as the gf mesh method (!).
Clang is fine however on this...

Solution : rename the template mesh<...> to gf_mesh...
Not very elegant, but ok.
2013-08-27 14:20:50 +02:00
Olivier Parcollet
7898bd8d88 gf : mesh now the class, not a trait.
simplify : mesh was a impl trait,
make it the class itself.
corrected the gf, tests and the cython.
2013-08-27 13:43:58 +02:00
Olivier Parcollet
41bc8d0338 changing non_view_type to regular_type
- cosmetic : for clarity of the code.
2013-08-27 13:43:57 +02:00
Olivier Parcollet
f6fa63c9b3 gf: clean h5name
- _s automatically done for scalar_valued.
- add simple reinterpretation of gf scalar to matrix view to
easy h5 saving to plot in python
2013-07-30 22:37:41 +02:00
Olivier Parcollet
bd4926157c [API BREAK] rename directory gf -> gfs 2013-07-29 11:53:02 +02:00