dft_tools

Commit Graph

Author	SHA1	Message	Date
Alexander Hampel	1e3578cac8	fix: np.int/np.float/np.complex are deprecated (np v1.20) / rm (np v1.24)	2023-02-07 14:17:51 -05:00
Nils Wentzell	056c421871	Fit tail explicitly in analyse_block_structure_from_gf2.py	2020-08-13 17:17:07 -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

Author

SHA1

Message

Date

Alexander Hampel

1e3578cac8

fix: np.int/np.float/np.complex are deprecated (np v1.20) / rm (np v1.24)

2023-02-07 14:17:51 -05:00

Nils Wentzell

056c421871

Fit tail explicitly in analyse_block_structure_from_gf2.py

2020-08-13 17:17:07 -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

3 Commits