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qp2/src/dressing/dressing_vector.irp.f
2021-07-31 16:22:33 +02:00

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