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Commit Graph

93 Commits

Author SHA1 Message Date
Olivier Parcollet
e1c113b745 Fix g(k,om) for tests
- evaluator
- G(k,tau) is real
- partial_eval for matrix_valued functions
- details : simplifying traits (using decay_t)
2014-02-26 16:24:51 +01:00
tayral
300b016b75 Added more detailed test of Gkom... does not compile. 2014-02-26 16:22:29 +01:00
Olivier Parcollet
73d81cc55a gf: correct bug in matsubara_freq mesh point
- bool at_end() for a mesh point means AFTER the last point ,
as end in STL. It was not correct ( +1 missing).
- also the at_end was not computed in the mesh product.
- it slightly changes the test_fit_tail --> just changed the output.
--> did this bug affect other functions/codes ?
2014-02-19 21:14:59 +01:00
tayral
8c1f7945e4 Various small fixes in imfreq Gfs.
- documentation of matsubara_freq_mesh
- fixing doc of fit_tail
- fixing right conventions for matsubara_freq_mesh
2014-02-19 11:59:47 +00:00
Olivier Parcollet
2b315fcdea gf : corrections
- correct previous commit (for scalar gf, the new check was not compiling)
- correct windowing of linear mesh (left point corrected as right point for rounding error
2014-02-18 19:25:29 +01:00
tayral
2da097991e Made test gf_notail clearer. 2014-02-18 17:15:55 +01:00
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
b129b3d17b Added basic doc + additional test for tail fitting
- added test for a 'real-life' GF + corresponding output
- added basic usage documentation for tail fitting from c++. Full implementation details yet to be written
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
96ef742344 c14, tuples : various fixes.
- Various details (for_each_enumerate impl)
- also put all tuple stuff in tuple_tools.hpp
- add std14 namespace for usage of c++14 helper types
2014-02-18 15:37:57 +01:00
Olivier Parcollet
1c9d6dacfa arrays: h5 read/write for arrays of complex types
- array of complex type (not fundamental) can now be saved/loaded to
  h5
- with a test with array<gf<...>>
2014-02-13 21:46:23 +01:00
tayral
87dc9aeaa5 Add statistic tools
- binning, jackknife, autocorrelation, observable.
- DRAFT only : in development, debug. Doc to be written.
2014-02-12 09:41:07 +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
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
Olivier Parcollet
b2603dcf3a Fix for clang 1y with gcc lib
- add a workaround for a gcc issue in fisrt_include.
- --> make sure that the first include is :
either a triqs lib
or first_include
2014-01-20 10:50:52 +01:00
Olivier Parcollet
0cfb8be29e add one speed test ...
machine dependant, to get an idea...
2014-01-10 15:29:18 +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
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
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
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
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
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
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
e703b1e2b7 port to clang 3.4
- little narrowing details
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
c151e63de2 arrays : rm old array_proxy
- useless old draft
2013-11-18 23:41:32 +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
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
de0e41ed15 gf: finish block iterator 2013-10-22 21:29:27 +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
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
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
588dd6e50a arrays: clean inverse
- does not use view
- determinant not lazy any more
2013-10-17 00:32:09 +02:00
Olivier Parcollet
800aea4c5e remove workaround for icc 13.0
- deprecated....
- remove the TRIQS_WORKAROUND_INTEL_COMPILER_BUGS macro
2013-10-17 00:32:09 +02:00
Olivier Parcollet
4d0bb56790 arrays. Clean expression templates
- clean array, matrix, vector expression template
  they take const & of objects, or move && objects
  no more views. -> C++11 modernisation
- Fix a bug in array resize : it was resetting the indexmap
  to C memory layout e.g. for a fortran array
- Fix a bug in read h5 array when not in C order
  (forgot an else, the array was read twice).
2013-10-17 00:32:09 +02:00
Olivier Parcollet
6f7deca96a tuple tools : add reverse for a tuple...
- add in std:: the reverse to be able to apply the algorithms on a
  reversed tuple
- overloaded std::get, std::tuple_size for this
- added tests.
2013-09-28 22:54:21 +02:00
Olivier Parcollet
7607d3963d Fix 2cca958 for gcc 4.6
- forgot a type...
2013-09-13 20:26:46 +02:00