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all_states_act_2_rdm_dav_routines.irp.f | ||
all_states_act_2_rdm_prov.irp.f | ||
all_states_act_2_rdm_update_routines.irp.f | ||
NEED | ||
README.rst | ||
state_av_act_2_rdm_dav_routines.irp.f | ||
state_av_act_2_rdm_prov.irp.f | ||
state_av_act_2_rdm_update_routines.irp.f |
============ 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.