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mirror of https://github.com/LCPQ/quantum_package synced 2024-09-26 19:40:57 +02:00
quantum_package/scripts
2019-01-16 18:24:24 +01:00
..
compilation modified some scripts 2018-12-28 15:08:07 +01:00
ezfio_interface Improved qp completion 2019-01-14 22:37:24 +01:00
module Documentation 2019-01-07 00:39:54 +01:00
utility fixed qp_path 2019-01-16 17:45:18 +01:00
.gitignore Nocurl (#75) 2018-11-20 11:33:07 +01:00
generate_h_apply.py Cleaning in scripts 2019-01-14 15:20:51 +01:00
get_basis Fixed options 2019-01-14 19:52:41 +01:00
hello.py Merge pull request #62 from scemama/master 2019-01-16 15:03:47 +01:00
perturbation.py Cleaning in scripts 2019-01-14 15:20:51 +01:00
qp_convert_output_to_ezfio Working on doc 2019-01-16 11:47:09 +01:00
qp_e_conv_fci Fixed options 2019-01-14 19:52:41 +01:00
qp_export_as_tgz Cleaning in scripts 2019-01-14 15:20:51 +01:00
qp_mpirun Improved qp completion 2019-01-14 22:37:24 +01:00
qp_name Cleaning in scripts 2019-01-14 15:20:51 +01:00
qp_plugins Fixed qp_plugins -u 2019-01-15 00:48:28 +01:00
qp_reset Added qp_reset 2019-01-16 18:24:24 +01:00
qp_set_frozen_core Fixed options 2019-01-14 19:52:41 +01:00
qp_srun Fixed qp_srun 2019-01-15 10:37:19 +01:00
qp_test Cleaning in scripts 2019-01-14 15:20:51 +01:00
qp_update Improved qp completion 2019-01-14 22:37:24 +01:00
remove_trailing_spaces Fixed options 2019-01-14 19:52:41 +01:00
save_current_mos.sh Cleaning in scripts 2019-01-14 15:20:51 +01:00