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mirror of https://github.com/QuantumPackage/qp2.git synced 2024-12-04 19:03:28 +01:00
qp2/src/two_body_rdm
2020-03-20 14:30:46 +01:00
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all_states_full_2_rdm_prov.irp.f only active and full 2 rdms are ok 2020-03-19 15:57:49 +01:00
all_states_prov.irp.f still cleaning in two_body_rdm 2020-03-20 14:30:46 +01:00
NEED still cleaning in two_body_rdm 2020-03-20 14:30:46 +01:00
README.rst beginning the cleaning of two_body_rdm 2020-03-18 15:13:49 +01:00
state_av_2rdm.irp.f still cleaning in two_body_rdm 2020-03-20 14:30:46 +01:00
test_2_rdm.irp.f openmp version of state average dm work 2020-03-20 11:04:36 +01:00

============
two_body_rdm
============

Contains the two rdms $\alpha\alpha$, $\beta\beta$ and $\alpha\beta$ stored as
arrays, with pysicists notation, consistent with the two-electron integrals in the
MO basis.