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Fixed maxloc
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@ -815,7 +815,7 @@ subroutine fill_buffer_double(i_generator, sp, h1, h2, bannedOrb, banned, fock_d
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stop -1
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stop -1
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endif
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endif
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pt2_matrix = dabs(pt2_matrix)
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pt2_matrix = dabs(pt2_matrix)
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iwork = maxloc(pt2_matrix,1)
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iwork(1:N_states) = maxloc(pt2_matrix,1)
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do k=1,N_states
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do k=1,N_states
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e_pert(iwork(k)) = eigvalues(k) - E0(iwork(k))
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e_pert(iwork(k)) = eigvalues(k) - E0(iwork(k))
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enddo
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enddo
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