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qp2/src/two_body_rdm
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eginer e9724fa8c7 beginning to work on general routine for 2rdm
2019-06-28 15:17:04 +02:00
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ab_only_routines.irp.f added the RDMS 2019-06-27 18:23:28 +02:00
all_2rdm_routines.irp.f indentation 2019-06-27 22:52:32 +02:00
general_2rdm_routines.irp.f beginning to work on general routine for 2rdm 2019-06-28 15:17:04 +02:00
NEED added the RDMS 2019-06-27 18:23:28 +02:00
orb_range_2_rdm.irp.f beginning to work on general routine for 2rdm 2019-06-28 15:17:04 +02:00
README.rst indentation 2019-06-27 22:52:32 +02:00
routines_compute_2rdm_orb_range.irp.f beginning to work on general routine for 2rdm 2019-06-28 15:17:04 +02:00
routines_compute_2rdm.irp.f added the RDMS 2019-06-27 18:23:28 +02:00
two_rdm.irp.f Merge branch 'casscf' of github.com:QuantumPackage/qp2 into casscf 2019-06-28 01:16:12 +02:00

README.rst 

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

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