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qp2/src/two_body_rdm
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Emmanuel Giner c3f181c454 only active and full 2 rdms are ok
2020-03-19 15:57:49 +01:00
..
all_states_act_2_rdm_dav_routines.irp.f only active and full 2 rdms are ok 2020-03-19 15:57:49 +01:00
all_states_act_2_rdm_prov.irp.f only active and full 2 rdms are ok 2020-03-19 15:57:49 +01:00
all_states_act_2_rdm_update_routines.irp.f only active and full 2 rdms are ok 2020-03-19 15:57:49 +01:00
all_states_full_2_rdm_prov.irp.f only active and full 2 rdms are ok 2020-03-19 15:57:49 +01:00
compute_orb_range_omp.irp.f only active and full 2 rdms are ok 2020-03-19 15:57:49 +01:00
NEED only active and full 2 rdms are ok 2020-03-19 15:57:49 +01:00
orb_range_omp.irp.f only active and full 2 rdms are ok 2020-03-19 15:57:49 +01:00
orb_range_routines_omp.irp.f only active and full 2 rdms are ok 2020-03-19 15:57:49 +01:00
README.rst beginning the cleaning of two_body_rdm 2020-03-18 15:13:49 +01:00
state_av_act_2_rdm_dav_routines.irp.f beginning the cleaning of two_body_rdm 2020-03-18 15:13:49 +01:00
state_av_act_2_rdm_prov.irp.f beginning the cleaning of two_body_rdm 2020-03-18 15:13:49 +01:00
state_av_act_2_rdm_update_routines.irp.f beginning the cleaning of two_body_rdm 2020-03-18 15:13:49 +01:00
test_2_rdm.irp.f only active and full 2 rdms are ok 2020-03-19 15:57:49 +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.