quemb.shared.external.cpmp2_utils

Functions

get_Diajb_r(moe, no)
get_Diajb_u(moe, no)
get_Pmp2_r(t2l, t2r)
get_Pmp2_u(t2l, t2r)
get_dF_r(no, V, C, Q, u)
get_dF_u(no, V, C, Q, u)
get_dPmp2_batch_r(C, moe, V, no, Qs[, aorep])	Derivative of oo and vv block of the MP2 density
get_dPmp2_batch_u(C, moe, V, no, Qs[, aorep])	no = [noa, nob] V = [Vaa, Vbb, Vab] C = [Ca, Cb] moe = [moea, moeb]
get_dVovov_r(no, V, C, u)
get_dVovov_u(no, V, C, u)
get_dmoe_F_r(C, dF)
get_dmoe_F_u(C, dF)
get_full_u_F_r(no, C, moe, dF, u)
get_full_u_F_u(no, C, moe, dF, u)