Abdallah Ammar a791a28523 working on memory footprint

2023-06-04 09:19:34 +02:00

..

scripts_fci_tc

added fci_tc and cipsi_tc_bi_ortho

2023-02-07 17:28:11 +01:00

13.fci_tc_bi_ortho.bats

added test in fci_tc_bi_ortho

2023-02-08 15:36:36 +01:00

class.irp.f

added fci_tc and cipsi_tc_bi_ortho

2023-02-07 17:28:11 +01:00

copy_wf.irp.f

added fci_tc and cipsi_tc_bi_ortho

2023-02-07 17:28:11 +01:00

diagonalize_ci.irp.f

fixed nuclear repulsion in fci_tc_bi_ortho

2023-05-31 18:11:54 +02:00

EZFIO.cfg

added fci_tc and cipsi_tc_bi_ortho

2023-02-07 17:28:11 +01:00

fci_tc_bi_ortho.irp.f

working on memory footprint

2023-06-04 09:19:34 +02:00

generators.irp.f

fixed the bug of misalignement between coefs and determinants in fci_tc_bi_ortho

2023-03-16 14:00:21 +01:00

NEED

Added JSON to fci_tc_bi

2023-04-24 01:32:05 +02:00

pt2_tc.irp.f

added pt2_tc and pt2_tc_cisd

2023-05-01 14:00:04 +02:00

save_energy.irp.f

Added JSON to fci_tc_bi

2023-04-24 01:32:05 +02:00

selectors.irp.f

fixed the bug of misalignement between coefs and determinants in fci_tc_bi_ortho

2023-03-16 14:00:21 +01:00

zmq.irp.f

added fci_tc and cipsi_tc_bi_ortho

2023-02-07 17:28:11 +01:00