mirror of
https://github.com/LCPQ/quantum_package
synced 2024-07-23 19:27:34 +02:00
31 lines
817 B
Fortran
31 lines
817 B
Fortran
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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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! Null dressing vectors
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END_DOC
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integer :: i,ii,k,j,jj, l
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double precision :: f, tmp
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double precision, external :: u_dot_v
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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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f = -1.d0/psi_coef(l,k)
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do jj=1,N_det_non_ref
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j = idx_non_ref(jj)
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dressing_column_h(j,k) = 2.d0*delta_ij (k,jj)
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dressing_column_s(j,k) = 2.d0*delta_ij_s2(k,jj)
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dressing_column_h(l,k) += psi_coef(j,k) * delta_ij(k,jj)
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dressing_column_s(l,k) += psi_coef(j,k) * delta_ij_s2(k,jj)
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enddo
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dressing_column_h(l,k) *= f
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dressing_column_s(l,k) *= f
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enddo
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END_PROVIDER
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