PTEROSOR/QuantumPackage
10
0
Fork 0
mirror of https://github.com/QuantumPackage/qp2.git synced 2024-10-05 15:56:05 +02:00
Code Releases Activity
2201733dbe
QuantumPackage/src/casscf_tc_bi
History
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