mirror of
https://github.com/LCPQ/quantum_package
synced 2024-12-26 14:23:43 +01:00
33 lines
884 B
Fortran
33 lines
884 B
Fortran
|
|
BEGIN_PROVIDER [ double precision, dressing_column_h, (N_det,N_states) ]
|
|
&BEGIN_PROVIDER [ double precision, dressing_column_s, (N_det,N_states) ]
|
|
implicit none
|
|
BEGIN_DOC
|
|
! Null dressing vectors
|
|
END_DOC
|
|
|
|
integer :: i,ii,k,j, l
|
|
double precision :: f, tmp
|
|
double precision, external :: u_dot_v
|
|
|
|
dressing_column_h(:,:) = 0.d0
|
|
dressing_column_s(:,:) = 0.d0
|
|
|
|
do k=1,N_states
|
|
l = dressed_column_idx(k)
|
|
f = 1.d0/psi_coef(l,k)
|
|
do j = 1, n_det
|
|
dressing_column_h(j,k) = delta_ij(k,j,1) * f
|
|
dressing_column_s(j,k) = delta_ij(k,j,2) * f
|
|
enddo
|
|
tmp = u_dot_v(dressing_column_h(1,k), psi_coef(1,k), N_det) &
|
|
- dressing_column_h(l,k) * psi_coef(l,k)
|
|
dressing_column_h(l,k) -= tmp * f
|
|
tmp = u_dot_v(dressing_column_s(1,k), psi_coef(1,k), N_det) &
|
|
- dressing_column_s(l,k) * psi_coef(l,k)
|
|
dressing_column_s(l,k) -= tmp * f
|
|
enddo
|
|
|
|
END_PROVIDER
|
|
|