LCPQ/dft_tools
3
0
Fork 0
mirror of https://github.com/triqs/dft_tools synced 2024-11-01 03:33:50 +01:00
Code Issues Releases Wiki Activity
394 Commits 10 Branches 21 Tags 85 MiB
28a12c7b2f
Commit Graph

394 Commits

This Branch
This Branch
All Branches
Author SHA1 Message Date
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
c5c016aa79 gf: add gf_scalar test 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
54f12f9fc0 doc: fix the MathJax option 
- if Mathjax is detected, use it by default,
it not do not use it by default but allow the user
to provide the path.
 2013-07-28 11:49:28 +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
893736dbbf added two little tests ... 
- draft of reinterpret_array_view and immutable_diagonal_matrix
 2013-07-26 18:23:46 +02:00
Olivier Parcollet
27b28790f3 cmake. add system to boost detection 2013-07-26 10:41:10 +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
f12eccc69f cmake: add macro to fix rpath to triqs install 
- to be tested on mac
 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
Michel Ferrero
505839b339 Fix a misplaced NOT in FindCompilerCheck.cmake 
modified:   cmake/FindCompilerCheck.cmake
 2013-07-24 14:34:41 +02:00
Olivier Parcollet
cd411bba1e add little modif to make the dft apps 2013-07-23 20:57:53 +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
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
76d74ce0da doc : gf, fourier,meshes 2013-07-23 11:31:22 +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
5f133154e8 test of re_im_freq_time.cpp ok 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
Olivier Parcollet
6bf0d0f6b5 Add details for applis compilation/install 
- generation of test script
- export new variables
 2013-07-22 21:52:26 +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
Laura Messio
344a8f6b32 work on gf documentation 2013-07-19 13:41:27 +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