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qp2/plugins/local/cipsi_tc_bi_ortho/energy.irp.f

20 lines
407 B
Fortran

BEGIN_PROVIDER [ logical, initialize_pt2_E0_denominator ]
implicit none
BEGIN_DOC
! If true, initialize pt2_E0_denominator
END_DOC
initialize_pt2_E0_denominator = .True.
END_PROVIDER
BEGIN_PROVIDER [ double precision, pt2_E0_denominator, (N_states) ]
implicit none
BEGIN_DOC
! E0 in the denominator of the PT2
END_DOC
integer :: i,j
pt2_E0_denominator = eigval_right_tc_bi_orth
END_PROVIDER