LCPQ/dft_tools
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1,343 Commits 10 Branches 21 Tags 85 MiB
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6 Commits

Author SHA1 Message Date
Alexander Hampel
295b7f278e fix: fix f2py command for numpy ver >1.22 2023-01-23 15:57:53 -05:00
Alexander Hampel
29c7c337b1 merge latest app4trqs skeleton changes 2021-09-17 14:24:22 -04:00
Nils Wentzell
b69baf140e Use nda over TRIQS_RUNTIME_ERROR in dos_tetra3d 2021-05-26 17:59:50 -04:00
Nils Wentzell
3648fd74e8 Automated porting to triqs + meshes + nda 2021-05-26 17:59:50 -04:00
Nils Wentzell
4521842a07 Merge remote-tracking branch 'app4triqs-remote/unstable' into unstable 2020-10-30 16:13:51 -04:00
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