diff --git a/src/AMOEBA/amoeba_dispersion.cpp b/src/AMOEBA/amoeba_dispersion.cpp index 1969a3bf33..5dd7aacc88 100644 --- a/src/AMOEBA/amoeba_dispersion.cpp +++ b/src/AMOEBA/amoeba_dispersion.cpp @@ -351,12 +351,12 @@ void PairAmoeba::dispersion_kspace() e = -(term1 / denom) * struc2; edisp += e; vterm = 3.0 * (fac1*erfcterm*h + fac3*expterm) * struc2/denom; - virdisp[0] += h1*h1*vterm - e; - virdisp[1] += h2*h2*vterm - e; - virdisp[2] += h3*h3*vterm - e; - virdisp[3] += h1*h2*vterm; - virdisp[4] += h1*h3*vterm; - virdisp[5] += h2*h3*vterm; + virdisp[0] -= h1*h1*vterm - e; + virdisp[1] -= h2*h2*vterm - e; + virdisp[2] -= h3*h3*vterm - e; + virdisp[3] -= h1*h2*vterm; + virdisp[4] -= h1*h3*vterm; + virdisp[5] -= h2*h3*vterm; } else term1 = 0.0; // NOTE: pre-calc this division only once gridfft[n] *= -(term1/denom);