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qp2/src/two_body_rdm
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Emmanuel Giner 2e90197987 renamed and documented properly all providers for two rdms
2020-03-22 18:09:04 +01:00
..
act_2_rdm.irp.f renamed and documented properly all providers for two rdms 2020-03-22 18:09:04 +01:00
example.irp.f renamed and documented properly all providers for two rdms 2020-03-22 18:09:04 +01:00
full_orb_2_rdm.irp.f renamed and documented properly all providers for two rdms 2020-03-22 18:09:04 +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_act_2rdm.irp.f renamed and documented properly all providers for two rdms 2020-03-22 18:09:04 +01:00
state_av_full_orb_2_rdm.irp.f renamed and documented properly all providers for two rdms 2020-03-22 18:09:04 +01:00
test_2_rdm.irp.f all 2rdm clean and work with openmp 2020-03-22 17:15:39 +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.