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Commit Graph

72 Commits

Author SHA1 Message Date
tayral
708c47305c Extending fit_tail for scalar_valued (+ test)
-> extension by using reinterpret_scalar_valued_as_matrix_valued
2014-02-18 16:16:14 +01:00
tayral
da7e7ec971 Fixed fit_tail for pos. and neg. matsub + bosonic
-> code was previously assuming mesh with only positive, fermionic matsubara freqs
-> changed wn_min to n_min (was misleading, since it was an index, not a frequency) / same for <-> max
-> changed doc accordingly
2014-02-18 16:16:14 +01:00
tayral
82a6d21939 Fixed computation of density for full matsub mesh
-> Previously, calculation was implicitly assuming a mesh with only positive matsubara frequencies.
-> Added corresponding test
-> Also added test of density calculation with or without correct tail.
2014-02-18 16:16:14 +01:00
Olivier Parcollet
6e87bee850 lattice: clean old classes, add bz_mesh, gf on bz 2014-02-18 15:53:38 +01:00
Olivier Parcollet
e82d95d1a8 gf: add C++14 impl of meshes products
-  add c14 include
- the C++14 is lot more readable (due to generic lambda).
- for mesh/product.hpp -> now 2 versions (C++14 and C++11 for temporary
  backward compatibility).
2014-02-18 15:37:57 +01:00
Hartmut Hafermann
65ed3a8dc2 gf: new tail fitting 2014-02-03 22:22:21 +01:00
Olivier Parcollet
85141350e7 remove warnings in compilation
- triqs & tests now compiles with -Wall on clang (3.2)
Checked on OS X.
Todo : recheck on other compilers.
2014-01-30 22:17:28 +01:00
Olivier Parcollet
9f0915acb6 gfs, matsubara: correct unary - for matsubara_freq
- The unary - of matsubara_freq was not correct ...
missing () around the ==
2014-01-30 21:29:53 +01:00
Olivier Parcollet
91978da6db gfs: mesh product, rename shape method...
- just a renaming for readibility.
2014-01-30 20:28:30 +01:00
tayral
1811d53179 Added density for scalar_valued gf (and test thereof) 2014-01-20 17:55:07 +01:00
tayral
2d1dec4c3d Fixed antiperiodicity property of imtime
- the condition p%2 ==1 was wrong if p<0 (never true!)
- added corresponding test (gf_notail)

Conflicts:
	triqs/gfs/imtime.hpp

Fixed by O.P. : already fixed in Laura's pull request ...
2014-01-20 17:54:33 +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
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
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
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
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
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
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
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
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
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
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
0f324df3ef gf: Fix for make_fourier in scalar_valued mode 2013-10-30 13:19:33 +01:00
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
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
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
9002c1e456 implement array_const_view 2013-10-21 15:12:53 +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
Laura Messio
7693077b79 gf: Fix out of bound in linear mesh in gf eval.
- When reaching the last point of the grid,
move one step back and set w =1.
- fix the gf_2times but and related issues.
2013-10-21 15:11:44 +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
a5938a8d9e Fix arithmetic of mesh_points in gf
- the arithmetics of the gf mesh_points :
the forwarding of the second argument was missing,
leading to subtle bugs e.g. in  (in matrix case) :

  deltaw(iom_) << iom_ * gw.singularity()(-1) + gw.singularity()(0) - gw(iom_);

because the partial evaluation of the expression introduced a dangling const matrix_view &
instead of moving the temporary matrix_view into the final matrix expression template.
2013-10-18 21:52:57 +02:00
Michel Ferrero
f4444f3b49 Revert a wrong fix in expression template for gf
This reverts the part of the commit 1906dc30a5
which introduced modifications in the expr templates of the Green's
functions. The commit had introduced some bugs and this revert
removes them (the expr templates will be taken care of fully in later
commits). This is a temporary fix for issues #18 and #25.

  reverted:   triqs/gfs/data_proxies.hpp
  reverted:   triqs/gfs/gf.hpp
  reverted:   triqs/gfs/gf_expr.hpp
2013-10-17 00:28:51 +02:00