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18 Commits

Author SHA1 Message Date
Olivier Parcollet
0a1285405c [gfs] Lattice fourier, multivar G, curry, tail
- Add Fourier for lattice.
  - Add regular_bz_mesh, cyclic_lattice, and their FFT.

- rm freq_infty.
- The gf can now be evaluated on a tail_view, which result in composing the tail.
- Fix the following issue :
  g(om_) << g(om_ +1)
  will recompose the tail correctly.
- TODO : TEST THIS NEW FEATURE IN DETAIL.

- Work on singularity for G(x, omega)

 - Separate the factory for singularity from the data factory in gf.
 - overload assign_from_functoin (renamed).
 - Fix singularity_t and co in the gf (const issue).

- Clean tail, add tail_const_view
 - add m_tail for x -> tail on any mesh
 - test curry + fourier works on k
2014-10-18 21:20:35 +02:00
Olivier Parcollet
fa07abbea9 [gfs] Singularity as an explicit template parameter
- change the underlying data : do not flatten the linear indices of the
  mesh into a single index, keep a higher dim array.
- easier for various places, and necessary for g(nu,nu').
- work on several 2 part. containers.
- add default target (may not be always matrix_valued)
2014-10-18 21:20:16 +02:00
Michel Ferrero
3b59d26a67 Two fixes in tight binding part 2014-10-06 23:18:10 +02:00
Olivier Parcollet
c9a5856fb8 [clef] Fix placeholder () and [] operators
- had been forgotten.
- modified g(k,om) test
2014-09-18 22:47:53 +02:00
Olivier Parcollet
9265c2db7f Fix #119
- Cleaned of the eigensystems computations (worker is simpler, decision
  at runtime, etc..).
- Fix #119 : When the matrix is in C order, the fortran lapack
  sees in fact its conjugate, so we need to conjugate the eigenvectors at the end.
  NB : not true if the storage order of the matrix is already fortran of course.
2014-09-04 11:55:32 +02:00
Priyanka Seth
c61b8941ee More prettification: can not --> cannot 2014-07-16 23:30:05 +02:00
Olivier Parcollet
31927c9132 wrapper : remove the need of default constructor
- change the constructor wrapper.
- in the new method, leave the pointer _c to NULL.
- in the init, allocate it.
- It seems ok to leave the object in this non initialized state,
  but that is not so clear from the doc.
  Added check for this pointer == NULL in converters.
2014-05-30 19:34:13 +02:00
Olivier Parcollet
2b5dd322ce lattice : python wrapper 2014-05-29 22:25:22 +02:00
tayral
3aa380ba9d Fixed abs bug in bravais_lattice + added method
When constructing the last unit vector in 2D, the sanity check was wrong because of usage of abs instead of std::abs.

Added method energy_on_bz_path_2 that returns the energy *matrix* at each k point on a given path instead of the eigenvalues of this matrix. The name of the function should be changed (to energy_matrix_on_bz_path?)

Renaming energies_on_bz_path_2 to energy_matrix_on_bz_path
2014-05-08 12:09:58 +01:00
Olivier Parcollet
8c725f8d5e Work on compilation speed.
- h5/make_h5.... only used in parameters.
- old boost includes before C++11
- remove boost serialization, make macro TRIQS_MAKE_NVP temporarely
- remove boost::is_complex (can be written in 2 lines...)
- move some lib in cpp
2014-05-02 20:49:19 +02:00
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
Olivier Parcollet
6e87bee850 lattice: clean old classes, add bz_mesh, gf on bz 2014-02-18 15:53:38 +01:00
Olivier Parcollet
072b45ac1c arrays: Remove dim0, dim1, .shape in various matrix object.
Not in the concept, not needed, just an annoyance.
replaced by free functions :
first_dim(A), second_dim(A), get_shape(A) and so on...
2013-08-27 13:43:58 +02:00
Olivier Parcollet
c8fcb40164 arrays : rm linalg/determinant and inverse (links)
It is clearer to have only one file :
det_and_inverse.hpp
changed the included in tests.
2013-08-27 13:43:57 +02:00
Olivier Parcollet
6fa737978e arrays: remove .len (redundant)
.len -> .shape
with same syntax.
Made a few necessary corrections here and there.
2013-08-27 13:43:57 +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
fc2a620eae arrays: new ref counting and weak views
- improve the mem_block and shared_block.
- the reference counting is now done in the mem_block and shared_block, removing the need of shared_ptr.

- speed tests shows that shared_ptr is very slow (due to thread safety?)
the new version is much better, though not perfect.

- Hence introducing weak views.

- also :
-- clean the guard mechanism for python (to allow returning from python without any python ref left).
-- clean code, add documentation for mem_block
-- remove nan init, which was not working, and corresponding test
-- serialisation of view still unchanged (need to forbid serialization of view ??).

- tests ok, incl. valgrind tests.
2013-07-23 08:13:44 +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