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6971bf186c
qp2/src/fci_tc_bi
History
eginer 87090d7397
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Details
fixed nuclear repulsion in fci_tc_bi_ortho
2023-05-31 18:11:54 +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 Added JSON in FCI_TC 2023-04-24 01:22:24 +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