LCPQ/dft_tools
3
0
Fork 0
mirror of https://github.com/triqs/dft_tools synced 2024-07-11 05:43:48 +02:00
Code Issues Releases Wiki Activity
f8153c2134
dft_tools/test/python/plovasp
History
Alexander Hampel af8cde628e small adjustments to Vasp converter (closes #146) 
* adding kpts_basis, kpts, and kpt_weights to h5 dft_input
* read these properties as optional arguments in Sumk_dft.py
* change accordingly the ref h5 files for vasp converter test
* soon all converters are demanted to store those properties
* bz_weights should then be replaced by kpt_weights
* closes PR #146
2020-08-03 12:39:34 +02:00
..
atm synchronize dfttools with app4triqs structure 2020-06-10 17:45:53 +02:00
converter small adjustments to Vasp converter (closes #146) 2020-08-03 12:39:34 +02:00
inpconf fixed py tests for vasp converter not running, fixed test imports, rm plocar_io test (not used) 2020-08-03 12:17:16 +02:00
plotools fixed py tests for vasp converter not running, fixed test imports, rm plocar_io test (not used) 2020-08-03 12:17:16 +02:00
proj_group fixed py tests for vasp converter not running, fixed test imports, rm plocar_io test (not used) 2020-08-03 12:17:16 +02:00
proj_shell fixed py tests for vasp converter not running, fixed test imports, rm plocar_io test (not used) 2020-08-03 12:17:16 +02:00
vaspio fixed py tests for vasp converter not running, fixed test imports, rm plocar_io test (not used) 2020-08-03 12:17:16 +02:00
.gitignore synchronize dfttools with app4triqs structure 2020-06-10 17:45:53 +02:00
CMakeLists.txt fixes CMakeLists from previous commit for running vasp tests 2020-08-03 12:25:08 +02:00
run_suite.py synchronize dfttools with app4triqs structure 2020-06-10 17:45:53 +02:00