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.. | ||
ab_only_routines.irp.f | ||
all_2rdm_routines.irp.f | ||
all_states_2_rdm.irp.f | ||
all_states_routines.irp.f | ||
compute_all_states.irp.f | ||
compute_orb_range_omp.irp.f | ||
compute_orb_range.irp.f | ||
compute.irp.f | ||
NEED | ||
orb_range_omp.irp.f | ||
orb_range_routines_omp.irp.f | ||
orb_range_routines.irp.f | ||
orb_range.irp.f | ||
README.rst | ||
two_rdm.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.