mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-06-02 02:35:18 +02:00
25 lines
477 B
Fortran
25 lines
477 B
Fortran
|
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
|