LCPQ/qp2
9
1
Fork 0
mirror of https://github.com/QuantumPackage/qp2.git synced 2024-12-21 11:03:29 +01:00
Code Releases Activity
78fe995f55
qp2/src/two_body_rdm
History
Emmanuel Giner 78fe995f55 getting there with active orbitals
2019-06-28 20:45:07 +02:00
..
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 getting there with active orbitals 2019-06-28 20:45:07 +02:00
NEED added the RDMS 2019-06-27 18:23:28 +02:00
orb_range_2_rdm.irp.f getting there with active orbitals 2019-06-28 20:45:07 +02:00
README.rst indentation 2019-06-27 22:52:32 +02:00
routines_compute_2rdm_orb_range.irp.f getting there with active orbitals 2019-06-28 20:45:07 +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.