Fix sign used for atom-style potential
A positive sign in front of the electric potential is consistent with E = -grad(electric potential).
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@ -1158,7 +1158,7 @@ void FixQEqReaxFF::get_chi_field()
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for (int i = 0; i < nlocal; i++) {
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if (mask[i] & efgroupbit) {
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if (region && !region->match(x[i][0],x[i][1],x[i][2])) continue;
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chi_field[i] = -efield->efield[i][3];
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chi_field[i] = efield->efield[i][3];
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}
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}
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}
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