LCPQ/dft_tools
3
0
Fork 0
mirror of https://github.com/triqs/dft_tools synced 2024-11-01 11:43:47 +01:00
Code Issues Releases Wiki Activity
266 Commits 10 Branches 21 Tags 85 MiB
3437c2dfe9
Commit Graph

156 Commits

Author SHA1 Message Date
Olivier Parcollet
7c758ede0d arrays : add cbegin 2013-09-02 21:25:44 +02:00
Olivier Parcollet
9f5d5ceb2d Fix for no python compilation 2013-08-30 20:11:04 +02:00
Olivier Parcollet
bb7394dfaf gf : correction to legendre. 
a error in a trait.
 2013-08-30 16:08:40 +02:00
Olivier Parcollet
5a12b7eeb5 gf : correction for block 
- forgot a constructor on the domain
 (was a pb for cthyb_krylov code).
- a few details (better make_gf).
 2013-08-30 12:59:46 +02:00
Olivier Parcollet
3b29e9bf9d arrays : renaming concept name 
CuboidArray <-> Array
added make_cuboid_domain
 2013-08-29 18:06:04 +02:00
Olivier Parcollet
b88f62d50e arrays: details while writing doc 
- add factories for matrices
- add make_immutablef from a lambda
- details
 2013-08-29 18:05:23 +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
165b44a081 gf: mesh. const_iterator and add cbegin 
- for meshes :
clean concept w/ doc, add cbegin, and changed
iterator to const_iterator (more standard name).
 2013-08-27 13:43:58 +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
3d6c030b1f arrays : correct deletion of std::swap for views 
- forgot the bool flags, in case a weak view is involved.
 2013-08-27 13:43:58 +02:00
Olivier Parcollet
f78e6baf9e code cleaning 
- TRIQS_MODEL_CONCEPT renamed : clearer for doc
- index_value_type : remove, useless...
 2013-08-27 13:43:58 +02:00
Olivier Parcollet
f71ff22ed0 arrays: cleaning cuboid domain 
- add one more constructor, clean constructor
- simplify foreach (use simple overload).
 2013-08-27 13:43:58 +02:00
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
e241f85a7d arrays: rm debug code matrix_view_proxy_DEBUG.hpp 
- used only for speed issue searching...
 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
017394e17f arrays : add experimental array_const_view 
- not completely clear how to
manipulate this alias, in particular when
matching template function
(and portability : require C++11 compiler).
 2013-08-27 13:43:57 +02:00
Olivier Parcollet
241d5636d7 arrays: rm tags file and some cleaning 
- tags are defined in files, this impl/tags.hpp
was not needed any more.
- some code cleaning
 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
17a741ad9e arrays: rm has_view_type_tag & add_views 
- has_view_type_tag mechanism was replaced by a decltype long ago.
Cleaning since it seems to work on all supported compiler now.

- removed add_views : not used any more.
 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
938f3dc425 arrays: workaround a bug in clang 3.3 release ? 
- Apparently there is a bug in release 3.3 of clang
(? on kondo cluster ?) that crash the compiler in compiling
a test. Pb not present in clang from svn.
Changed a little bit the libs as a workaround.
 2013-08-27 11:37:21 +02:00
Olivier Parcollet
4f4c697897 separate some tests in c++11 dir for old compilers. 
new policy : for non standard conforming compilers,
we can skip the tests using new features using recent c++ features.
I.e. compilers below gcc 4.8.1, clang 3.3.
 2013-07-30 22:37:41 +02:00
Olivier Parcollet
44bf1e322a gf product and curry. First draft 
- works on simple case, to be reread.
- curry in general. To be reread ..
- added some tests.
 2013-07-30 22:37:41 +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
e707cd8754 correction tuple_tools for gcc 4.6 2013-07-30 22:37:41 +02:00
Olivier Parcollet
0172c61892 tuple_tools : add push_back/front, call_on_zip 
- changed apply_on_zip3 -> apply_on_zip ...
 2013-07-30 09:08:57 +02:00
Olivier Parcollet
0cdfc4f2d3 tuple_tools : add apply_construct 
- given a class F and a tuple t,
it returns F(t[0], t[1], ...)
 2013-07-30 09:08:57 +02:00
Olivier Parcollet
c16dc354a9 tuple tools : generalize apply_on_zip to accept && 2013-07-30 09:08:57 +02:00
Olivier Parcollet
65bdc65da1 gf: fix upper bound in out of bounds check in linear mesh 2013-07-29 11:53:02 +02:00
Olivier Parcollet
bd4926157c [API BREAK] rename directory gf -> gfs 2013-07-29 11:53:02 +02:00
Olivier Parcollet
7847b71552 [API BREAK] gf : mesh_pt into [] 
- All access to grid is now using the [] operator.
() always returns const, and is an evaluation over the domain.

- Now :
 * () is always a call to evaluator (or a lazy expression).
 * mesh_pt accepted by [] , both const and non const,
and not by ().

- Ported the libs (fourier et al.) but this break API.
 2013-07-29 11:52:53 +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
37f861b0b5 gf: draft of iterator on gf blocks ... 
- to be completed
- missing cbegin et al, pb with for(auto & g : ...)
because it returns a view...
 2013-07-27 15:06:10 +02:00
Olivier Parcollet
9290e640fd icc : workaround macro was not set in the config.h 
- forgot to declare one cmake var.
- test can now be not compiled (Build_Triqs_General_Tools_Test had no
  effect)
 2013-07-25 23:08:44 +02:00
Olivier Parcollet
7367e4d50a utility : add printing of a tuple 
- << tuple now works, with a default version.
Useful for debugging
 2013-07-25 15:19:54 +02:00
Olivier Parcollet
bc64776de1 arrays: fix a missing include in eigenelements 2013-07-25 15:19:54 +02:00
Olivier Parcollet
b196561a9a utility : add tuple_serialize code 2013-07-25 15:19:54 +02:00
Olivier Parcollet
32814be65e gf : add nearest_point for krylov 
To be cleaned, it is redundant.
I put it here to make the krylov app compile properly
 2013-07-25 15:19:54 +02:00
Olivier Parcollet
2c77efe619 uility : add foreach_enumerate 
- to be tested
 2013-07-25 15:19:54 +02:00
Olivier Parcollet
157b014ad8 arrays/vector: little correction on = std::vector 
- forgot the borrowed flag.
simple consequence of the weak view change.
 2013-07-25 15:19:54 +02:00
Olivier Parcollet
f7b88b839c mc_tools : add precomputation (first draft) 
- add precomputation as auxiliary measure,
computed before the accumulation of measures.
 2013-07-23 13:43:54 +02:00
Laura Messio
71c709b0ba gf with products of meshes : bug corrected and commented 2013-07-23 11:31:22 +02:00
Laura Messio
8b4404c1a9 gf: test of retime and refreq improved, the scalar_valued evaluator now works. 2013-07-23 11:31:22 +02:00
Olivier Parcollet
43078dc597 add get_component 2013-07-23 11:31:22 +02:00
Laura Messio
3bf00059a4 gf: retime, imtime: constructor from mesh added 
- also on product.... (gf: re_im_time, refreq_imtime)
 2013-07-23 11:31:22 +02:00
Laura Messio
91432bfb80 refreq_imtime.hpp: bug corrected 2013-07-23 11:31:22 +02:00
Laura Messio
c9f6666914 fourier_matsubara: still some useless & removed 2013-07-23 11:31:22 +02:00
Laura Messio
a69e2f52aa fourier_real: scalar_valued implementation 2013-07-23 11:31:22 +02:00
Olivier Parcollet
f4d42a4ec8 arrays : clean an old example 2013-07-23 08:13:52 +02:00
Olivier Parcollet
552c440238 arrays : add ConstView to fix const correctness 
- A()(0) = 1
will not work any more if A is const, as it should be.

- Introduced the notion of const_view, simply done by a flag
(flag 0, for easy debug)
- changed the slice of ISP to use it (only on C++11 compliant compiler)
- Move BoundCheck Flags to 5.
 2013-07-23 08:13:52 +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
Laura Messio
798ba1c800 draft of multi-time gf (t,tau), etc... 2013-07-19 13:41:42 +02:00
Laura Messio
38d89e2d01 work on gf: scalar_valued, ... 
- introducing scalar_valued gf
- Change Fourier routines to run on scalar_valued,
and then use those routines to run on matrix_valued.
- Tools for slices of 2 variables functions
 2013-07-19 13:41:34 +02:00
Olivier Parcollet
aa2c52cb01 utility : tuple, complex_ops 
- add _j notation on C++11 compliant compilers
- correct tuple fold (was working in reverse)
- add construction of mini_vector from tuple
 2013-07-19 13:27:03 +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