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resolving final changes
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src/multicharge/model/eeq.f90

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -548,7 +548,7 @@ subroutine get_damat_rec_3d(rij, vol, alp, trans, dg, ds)
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integer :: itr
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real(wp) :: fac, vec(3), g2, gv, etmp, dtmp, alp2
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real(wp), parameter :: unity(3, 3) = reshape(&
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& [1, 0, 0, 0, 1, 0, 0, 0, 1], shape(unity))
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& [1, 0, 0, 0, 1, 0, 0, 0, 1], [3, 3])
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dg(:) = 0.0_wp
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ds(:, :) = 0.0_wp

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