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PTEROSOR
/
QuantumPackage
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https://github.com/QuantumPackage/qp2.git
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2024-06-22 13:12:23 +02:00
Code
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Activity
9eba86fea0
QuantumPackage
/
src
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casscf_tc_bi
History
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