mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-12-26 13:23:29 +01:00
30 lines
821 B
Fortran
30 lines
821 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
|
|
! \Delta_{state-specific}. \Psi
|
|
! Diagonal element is divided by 2 because Delta = D + D^t
|
|
END_DOC
|
|
|
|
integer :: i,ii,k,j, l
|
|
double precision :: f, tmp
|
|
double precision, external :: u_dot_v
|
|
logical, external :: detEq
|
|
|
|
dressing_column_h(:,:) = 0.d0
|
|
dressing_column_s(:,:) = 0.d0
|
|
|
|
do k=1,N_states
|
|
l = dressed_column_idx(k)
|
|
do j = 1, n_det
|
|
dressing_column_h(j,k) = delta_ij(k,j,1)
|
|
dressing_column_s(j,k) = delta_ij(k,j,2)
|
|
dressing_column_h(l,k) -= 0.5d0 * psi_coef(j,k) * delta_ij(k,j,1) /psi_coef(l,k)
|
|
dressing_column_s(l,k) -= 0.5d0 * psi_coef(j,k) * delta_ij(k,j,2) /psi_coef(l,k)
|
|
enddo
|
|
enddo
|
|
END_PROVIDER
|
|
|
|
|
|
|