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QuantumPackage/src/two_body_rdm
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Anthony Scemama ced612bd06 Shortened file names
2019-10-28 18:24:48 +01:00
..
ab_only_routines.irp.f
beginning to rewrite two_rdm
2019-07-04 16:16:57 +02:00
all_2rdm_routines.irp.f
bug fixed in openmp 2 rdms
2019-07-04 18:04:43 +02:00
all_states_2_rdm.irp.f
beginning to rewrite two_rdm
2019-07-04 16:16:57 +02:00
all_states_routines.irp.f
bug fixed in openmp 2 rdms
2019-07-04 18:04:43 +02:00
compute_all_states.irp.f
Shortened file names
2019-10-28 18:24:48 +01:00
compute_orb_range_omp.irp.f
Shortened file names
2019-10-28 18:24:48 +01:00
compute_orb_range.irp.f
Shortened file names
2019-10-28 18:24:48 +01:00
compute.irp.f
Shortened file names
2019-10-28 18:24:48 +01:00
NEED
added the RDMS
2019-06-27 18:23:28 +02:00
orb_range_omp.irp.f
Shortened file names
2019-10-28 18:24:48 +01:00
orb_range_routines_omp.irp.f
Shortened file names
2019-10-28 18:24:48 +01:00
orb_range_routines.irp.f
state average works
2019-10-25 17:31:09 +02:00
orb_range.irp.f
Shortened file names
2019-10-28 18:24:48 +01:00
README.rst
comments
2019-06-29 17:34:20 +02:00
two_rdm.irp.f
beginning to rewrite two_rdm
2019-07-04 16:16:57 +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.