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Commit Graph

20 Commits

Author SHA1 Message Date
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
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
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
Michel Ferrero
fe1aeb8dbf Fix for compatibility with 32-bit systems
This is a fix for issue #18. The type float128 doesn't exist on 32-bit
machines. I removed it from the matrix_stack.pyx detection of a scalar.

  modified:   pytriqs/gf/local/matrix_stack.pyx
2013-09-26 21:59:21 +02:00
Michel Ferrero
68e742df53 Add list/tuple of long in python parameter class
modified:   pytriqs/parameters/parameters.pyx
2013-09-23 15:39:20 +02:00
Michel Ferrero
28140f14fb Work on documentation
Mainly on the python part. I had a quick browse through to check if
the scripts were still working.
2013-09-17 14:55:55 +02:00
Michel Ferrero
2921cbcc06 Cythonize random generators
A trivial cythonized version of the c++ random_generator class.
Useful to get the names of the generators from the python.

  new file:   pytriqs/random/*
  new file:   doc/reference/python/random/*
2013-09-16 12:20:06 +02:00
Olivier Parcollet
5fe1ebcc3b add wrap_clean make target.
-> to clean the cython wrappers.
2013-09-13 19:16:08 +02:00
Michel Ferrero
f0dfabff38 Change tail implementation with fixed array size
Now the tail have a fixed size. It actually makes everything simpler. I took
order_min = -1 and order_max = 8. This makes the tails compatible with the
previous implementation. However we might want to change this to something like
-10, 10 so that they are self-contained. This commit should also fix issue #11.
2013-09-12 15:21:56 +02:00
Michel Ferrero
d6f2fb97b6 Fix BZPatch class and partial DOS computation
modified:   pytriqs/lattice/bz_patch.py
  modified:   pytriqs/lattice/tight_binding.py
2013-09-05 17:55:18 +02:00
Michel Ferrero
93eea0ed74 Get rid of boost compilation from sources
Also change pytriqs.boost to boost
2013-09-02 14:26:32 +02:00
Olivier Parcollet
ab5b95bc4e added mpi4py layer for experiments...
utility/mpi_mpi4py.py
is the new mpi.py to use with mpi4py.
For testing for the moment.
Passes on old solver ok.
2013-08-29 18:06:04 +02:00
Michel Ferrero
9c258fa7e1 Add tools to be able to find version and release
I added a version.hpp and updated the version.py so that
one can find the version of the library either from the
c++ or the python (if there is python support).

  modified:   CMakeLists.txt
  modified:   cmake/TRIQSConfig.cmake.in
  modified:   pytriqs/version.py.in
  modified:   triqs/CMakeLists.txt
  new file:   triqs/version.hpp.in
2013-08-29 11:41:19 +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
Michel Ferrero
3162d504b7 Add some more direct accesses in pytriqs/operators
modified:   pytriqs/operators/__init__.py
2013-08-02 10:14:33 +02:00
Olivier Parcollet
bd4926157c [API BREAK] rename directory gf -> gfs 2013-07-29 11:53:02 +02:00
Olivier Parcollet
40f8cb5c18 [API BREAK] gf : rename namespace gf->gfs
- necessary otherwise the class gf and the namespace have
the same name, leading to some confusion, and need to qualify
some functions (specially on gcc).
Same naming conventions as arrays.
2013-07-28 21:11:28 +02:00
Olivier Parcollet
40b508eb14 add many body operators in python (old version)
- The old code, which was in the solvers,
is used in several apps (dft, ctqmc_hyb).
It is really a lib, even though it is now superseded
by Igor and Andrey's library...
(to be deprecated at some point).
2013-07-23 20:56:39 +02:00
Olivier Parcollet
f2c7d449cc First commit : triqs libs version 1.0 alpha1
for earlier commits, see TRIQS0.x repository.
2013-07-17 19:24:07 +02:00