Anthony Scemama a2627e7925 Introduced TREXIO in QP

2023-05-12 16:04:45 +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

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