mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-12-30 16:15:48 +01:00
20 lines
407 B
Fortran
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
|
|
|