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c6e59030de
QuantumPackage/src/two_body_rdm
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Emmanuel Giner LCT c6e59030de all states 2rdm work
2019-07-02 08:55:51 +02:00
..
ab_only_routines.irp.f added documentation for the two-rdm 2019-06-29 17:29:32 +02:00
all_2rdm_routines.irp.f added documentation for the two-rdm 2019-06-29 17:29:32 +02:00
all_states_2_rdm.irp.f trying to do stuffs in multi state rdms 2019-07-01 18:30:23 +02:00
all_states_routines.irp.f all states 2rdm work 2019-07-02 08:55:51 +02:00
NEED added the RDMS 2019-06-27 18:23:28 +02:00
orb_range_2_rdm.irp.f renamed two-rdm for explicit separation between all states and state average 2019-07-01 17:49:31 +02:00
orb_range_routines.irp.f renamed two-rdm for explicit separation between all states and state average 2019-07-01 17:49:31 +02:00
README.rst comments 2019-06-29 17:34:20 +02:00
routines_compute_2rdm_all_states.irp.f trying to do stuffs in multi state rdms 2019-07-01 18:30:23 +02:00
routines_compute_2rdm_orb_range.irp.f added documentation for the two-rdm 2019-06-29 17:29:32 +02:00
routines_compute_2rdm.irp.f added documentation for the two-rdm 2019-06-29 17:29:32 +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
arrays, with pysicists notation, consistent with the two-electron integrals in the
MO basis.