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qp2/scripts
Anthony Scemama caa11f20ea
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Fixed singles when no beta exc
2023-06-10 11:56:07 +02:00
..
compilation Fixed singles when no beta exc 2023-06-10 11:56:07 +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 Improve 5idx 2023-06-02 20:32:31 +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 Improve 5idx 2023-06-02 20:32:31 +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