30 lines
821 B
Fortran
30 lines
821 B
Fortran
BEGIN_PROVIDER [ double precision, dressing_column_h, (N_det,N_states) ]
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&BEGIN_PROVIDER [ double precision, dressing_column_s, (N_det,N_states) ]
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implicit none
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BEGIN_DOC
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! \Delta_{state-specific}. \Psi
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! Diagonal element is divided by 2 because Delta = D + D^t
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END_DOC
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integer :: i,ii,k,j, l
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double precision :: f, tmp
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double precision, external :: u_dot_v
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logical, external :: detEq
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dressing_column_h(:,:) = 0.d0
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dressing_column_s(:,:) = 0.d0
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do k=1,N_states
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l = dressed_column_idx(k)
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do j = 1, n_det
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dressing_column_h(j,k) = delta_ij(k,j,1)
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dressing_column_s(j,k) = delta_ij(k,j,2)
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dressing_column_h(l,k) -= 0.5d0 * psi_coef(j,k) * delta_ij(k,j,1) /psi_coef(l,k)
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dressing_column_s(l,k) -= 0.5d0 * psi_coef(j,k) * delta_ij(k,j,2) /psi_coef(l,k)
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enddo
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enddo
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END_PROVIDER
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