10
0
mirror of https://github.com/LCPQ/quantum_package synced 2024-12-27 06:43:48 +01:00
quantum_package/plugins/Psiref_Utils/extract_ref.irp.f

25 lines
481 B
Fortran
Raw Normal View History

2016-04-11 10:48:36 +02:00
subroutine extract_ref
implicit none
BEGIN_DOC
! Replaces the total wave function by the normalized projection on the reference
END_DOC
integer :: i,j,k
do k=1,N_states
do j=1,N_det_ref
psi_coef(j,k) = psi_ref_coef_normalized(j,k)
enddo
enddo
do j=1,N_det_ref
do k=1,N_int
psi_det(k,1,j) = psi_ref(k,1,j)
psi_det(k,2,j) = psi_ref(k,2,j)
enddo
enddo
N_det = N_det_ref
call save_wavefunction
end