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Commit Graph

12 Commits

Author SHA1 Message Date
aichhorn
d810576024 Allow for comment lines in SRC_templates (newer Wien2k versions) 2024-09-19 16:10:20 +02:00
Alexander Hampel
fae1217fa4 switched lapack target from triqs to nda 2021-05-26 17:59:50 -04:00
Manuel Zingl
3a78f18cfc dmftproj: add option to specify band indices
This adds another option and a mode flag in dmftproj:
 * third value in window line defines now the mode
 * new option to provide an energy window where all
   bands which are within the window (at least at one k-point)
   are taken into account for the projectors.
 * updates to documention to reflects those changes
2020-08-04 17:48:06 +02:00
Alexander Hampel
11d394fd5b synchronize dfttools with app4triqs structure
* moved the plovasp C++ code to c++/triqs_dft_tools/converters/vasp
* added global header triqs_dft_tools/triqs_dft_tools.hpp
* python dir based on single cmakelist file
* registered C++ tests for plovasp
* corrected imports for py3 tests for plovasp
* corrected block order in sigma_from_file and srvo3_Gloc
* exchanged ref files for sigma_from_file, srvo3_Gloc, SrVO3.ref.h5
* moved vasp converter bash scripts from dir shells to bin dir
2020-06-10 17:45:53 +02:00
aichhorn
59e176e64a updated Wien2k warning in cmake 2018-06-18 11:12:29 +02:00
Manuel
76dff0f5a2 find lapack 2018-01-22 17:36:21 -05:00
Olivier Parcollet
ae548d48da WIP 2017-12-07 15:56:05 +01:00
Manuel Zingl
8ecadc1167 Writing of .oubwin removed for dmftproj -band 2015-07-07 16:00:06 +02:00
Priyanka Seth
1a48a8afe1 Crucial fix to run_triqs template for parallel execution 2015-03-11 08:22:54 +01:00
Priyanka Seth
17d58aacb4 Remove redundant folder vertex (calculated U) 2014-09-26 11:18:04 +02:00
Michel Ferrero
cd650884d3 Clean CMakeLists.txt 2013-08-07 16:30:09 +02:00
Olivier Parcollet
0e585ad9b4 First import. triqs 1.0 alpha1 2013-07-23 20:55:29 +02:00