Anthony Scemama b8804f058a Moved qp_import_trexio.py		2023-05-12 21:38:01 +02:00
..
compilation	Introduced TREXIO in QP	2023-05-12 16:04:45 +02:00
ezfio_interface	allow no basis set	2023-05-10 15:05:18 +02:00
functionals/do_not_touch_func	Develop (#10)	2019-02-22 19:19:58 +01:00
module	Fixing directories without NEED	2023-02-06 11:46:04 +01:00
utility	Added qp_json	2023-05-10 11:14:57 +02:00
verif_omp	OpenMP nested merged	2021-11-29 10:39:34 +01:00
.gitignore	gitignore in include	2023-02-06 17:57:07 +01:00
cipsi_save.sh	Add cipsi_save.sh	2022-04-11 23:55:17 +02:00
generate_h_apply.py	First python3 3 working installation	2020-03-17 18:02:29 +01:00
get_fci_conv.sh	added the get_fci_conv.sh script	2023-03-16 22:11:26 +01:00
get_fci_tc_conv.sh	added Hn.py	2023-03-28 12:43:15 +02:00
hello.py	First python3 3 working installation	2020-03-17 18:02:29 +01:00
Hn.py	added Hn.py	2023-03-28 12:43:15 +02:00
opam_installer_no_usr_bin.sh	added opam_installer_no_usr_bin.sh	2021-04-15 15:46:41 +02:00
perturbation.py	First python3 3 working installation	2020-03-17 18:02:29 +01:00
qp_exc_energy.py	Added qp_json	2023-05-10 11:14:57 +02:00
qp_extract_cipsi_data.py	qp_extract_cipsi_data.py uses qp_json	2023-05-10 12:54:02 +02:00
qp_import_trexio.py	Moved qp_import_trexio.py	2023-05-12 21:38:01 +02:00
remove_trailing_spaces	Initial commit	2019-01-25 11:39:31 +01:00
save_current_mos.sh	Initial commit	2019-01-25 11:39:31 +01:00
script_fci_tc.sh	added script_fci_tc.sh	2023-03-17 11:26:51 +01:00