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qp2/src/two_body_rdm
History
Anthony Scemama 83ae7ff581 Fixed 2RDM broken in 533413277d
2021-04-01 21:47:17 +02:00
..
act_2_rdm.irp.f added two_body_dens_rout.irp.f 2020-04-27 11:31:24 +02:00
example.irp.f Fixed 2rdm compilation 2021-01-25 10:21:25 +01:00
EZFIO.cfg fixed a bug in two_rdm, added the possibility to Write/Read the all_states active 2 rdm 2020-04-02 14:22:01 +02:00
full_orb_2_rdm.irp.f renamed and documented properly all providers for two rdms 2020-03-22 18:09:04 +01:00
NEED still cleaning in two_body_rdm 2020-03-20 14:30:46 +01:00
README.rst fixed a bug in two_rdm, added the possibility to Write/Read the all_states active 2 rdm 2020-04-02 14:22:01 +02:00
state_av_act_2rdm.irp.f renamed and documented properly all providers for two rdms 2020-03-22 18:09:04 +01:00
state_av_full_orb_2_rdm.irp.f renamed and documented properly all providers for two rdms 2020-03-22 18:09:04 +01:00
test_2_rdm.irp.f added basis correction and test 2020-04-06 15:06:16 +02:00
two_e_dm_mo.irp.f Fixed 2RDM broken in 533413277d 2021-04-01 21:47:17 +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.