PTEROSOR/QuantumPackage
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QuantumPackage/src/casscf_tc_bi
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eginer b3b080929b fixed stupid bug in TC 1-RDM and one-e gradient: o-v, o-a are ok
2023-07-11 01:56:28 +02:00
..
grad_dm.irp.f fixed stupid bug in TC 1-RDM and one-e gradient: o-v, o-a are ok 2023-07-11 01:56:28 +02:00
grad_old.irp.f fixed stupid bug in TC 1-RDM and one-e gradient: o-v, o-a are ok 2023-07-11 01:56:28 +02:00
gradient.irp.f inactive --> virtual one-e term gradient ok 2023-07-10 23:24:12 +02:00