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Fixed broken selection introduced in f3e22a8
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52b5283fe6
commit
9a77f8d342
@ -332,8 +332,7 @@ subroutine select_singles_and_doubles(i_generator,hole_mask,particle_mask,fock_d
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i = psi_bilinear_matrix_rows(l_a)
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if (nt + exc_degree(i) <= 4) then
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idx = psi_det_sorted_order(psi_bilinear_matrix_order(l_a))
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! if (psi_average_norm_contrib_sorted(idx) < 1.d-12) cycle
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if (idx > N_det_selectors) cycle
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if (psi_average_norm_contrib_sorted(idx) < 1.d-12) cycle
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indices(k) = idx
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k=k+1
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endif
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@ -356,8 +355,7 @@ subroutine select_singles_and_doubles(i_generator,hole_mask,particle_mask,fock_d
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idx = psi_det_sorted_order( &
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psi_bilinear_matrix_order( &
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psi_bilinear_matrix_transp_order(l_a)))
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! if (psi_average_norm_contrib_sorted(idx) < 1.d-12) cycle
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if (idx > N_det_selectors) cycle
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if (psi_average_norm_contrib_sorted(idx) < 1.d-12) cycle
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indices(k) = idx
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k=k+1
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endif
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@ -374,8 +372,8 @@ subroutine select_singles_and_doubles(i_generator,hole_mask,particle_mask,fock_d
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call isort(indices,iorder,nmax)
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deallocate(iorder)
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allocate(preinteresting(0:N_det_selectors), prefullinteresting(0:N_det), &
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interesting(0:N_det_selectors), fullinteresting(0:N_det))
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allocate(preinteresting(0:N_det), prefullinteresting(0:N_det), &
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interesting(0:N_det), fullinteresting(0:N_det))
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preinteresting(0) = 0
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prefullinteresting(0) = 0
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