PTEROSOR/QuantumPackage
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Code Releases Activity
QuantumPackage/src/casscf_tc_bi
History
eginer 6ed31002d2 added NEED in cas tc bi
2023-09-15 12:01:18 +02:00
..
det_manip.irp.f
added some stuffs for TC-CASSCF
2023-09-01 11:35:28 +02:00
grad_dm.irp.f
added some stuffs for TC-CASSCF
2023-09-01 11:35:28 +02:00
grad_old.irp.f
all gradients are OK !
2023-08-22 13:48:01 +02:00
gradient.irp.f
inactive --> virtual one-e term gradient ok
2023-07-10 23:24:12 +02:00
NEED
added NEED in cas tc bi
2023-09-15 12:01:18 +02:00
test_tc_casscf.irp.f
added some stuffs for TC-CASSCF
2023-09-01 11:35:28 +02:00