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lines reversed in slater_rules
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@ -1541,8 +1541,8 @@ subroutine H_u_0(v_0,u_0,H_jj,n,keys_tmp,Nint)
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!$OMP DO SCHEDULE(dynamic)
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do sh=1,shortcut(0)
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do i=shortcut(sh),shortcut(sh+1)-1
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local_threshold = threshold_davidson - dabs(u_0(org_i))
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org_i = sort_idx(i)
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local_threshold = threshold_davidson - dabs(u_0(org_i))
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do j=shortcut(sh),i-1
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org_j = sort_idx(j)
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if ( dabs(u_0(org_j)) > local_threshold ) then
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