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qp2/src/two_body_rdm
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Emmanuel Giner d96108f772 openmp for multi state 2rdm work
2020-03-20 22:20:12 +01:00
..
all_states_full_orb_prov.irp.f beginning to put openmp in all_states 2rdm 2020-03-20 14:36:52 +01:00
all_states_prov.irp.f openmp for multi state 2rdm work 2020-03-20 22:20:12 +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 beginning to put openmp in all_states 2rdm 2020-03-20 14:36:52 +01:00
test_2_rdm.irp.f openmp for multi state 2rdm work 2020-03-20 22:20:12 +01:00

README.rst 

============
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.