Anthony Scemama 8b34372baa Merged erf modules, and moved mu_erf into hamiltonian module

2023-10-16 16:18:58 +02:00

..

compilation

Changed how libraries are handled

2023-09-19 14:43:42 +02:00

ezfio_interface

Added Jastrow parameters in EZFIO

2023-09-19 15:26:50 +02:00

functionals/do_not_touch_func

Develop (#10)

2019-02-22 19:19:58 +01:00

module

Merged erf modules, and moved mu_erf into hamiltonian module

2023-10-16 16:18:58 +02:00

utility

python -> python3

2023-08-21 14:54:41 +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

python -> python3

2023-08-21 14:54:41 +02:00

import_champ_jastrow.py

Fixed openmp bug

2023-09-26 18:39:13 +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

python -> python3

2023-08-21 14:54:41 +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

Added script to import CHAMP Jastrow

2023-09-26 13:59:03 +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