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qp2/src/casscf_tc_bi
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eginer a15055e964 optimization of one-body TC-CASSCF gradients
2023-08-10 17:26:33 +02:00
..
grad_dm.irp.f optimization of one-body TC-CASSCF gradients 2023-08-10 17:26:33 +02:00
grad_old.irp.f all the one-body gradients are correct for TC-CASSCF 2023-08-10 17:07:40 +02:00
gradient.irp.f inactive --> virtual one-e term gradient ok 2023-07-10 23:24:12 +02:00