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quantum_package/plugins/dress_zmq/dressing_vector.irp.f
2018-03-05 17:04:26 +01:00

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