Loading src/ASPHERE/pair_gayberne.cpp +6 −6 Original line number Diff line number Diff line Loading @@ -196,12 +196,12 @@ void PairGayBerne::compute(int eflag, int vflag) if (vflag == 1) { if (newton_pair == 0 && j >= nlocal) for (m = 0; m < 6; m++) fforce[m] *= 0.5; virial[0] += r12[0]*r12[0]*fforce[0]; virial[1] += r12[1]*r12[1]*fforce[1]; virial[2] += r12[2]*r12[2]*fforce[2]; virial[3] += r12[0]*r12[1]*fforce[0]; virial[4] += r12[0]*r12[2]*fforce[1]; virial[5] += r12[1]*r12[2]*fforce[2]; virial[0] -= r12[0]*fforce[0]; virial[1] -= r12[1]*fforce[1]; virial[2] -= r12[2]*fforce[2]; virial[3] -= r12[0]*fforce[1]; virial[4] -= r12[0]*fforce[2]; virial[5] -= r12[1]*fforce[2]; } } } Loading src/ASPHERE/pair_resquared.cpp +6 −6 Original line number Diff line number Diff line Loading @@ -206,12 +206,12 @@ void PairRESquared::compute(int eflag, int vflag) if (vflag == 1) { if (newton_pair == 0 && j >= nlocal) for (m = 0; m < 6; m++) fforce[m] *= 0.5; virial[0] += r12[0]*r12[0]*fforce[0]; virial[1] += r12[1]*r12[1]*fforce[1]; virial[2] += r12[2]*r12[2]*fforce[2]; virial[3] += r12[0]*r12[1]*fforce[0]; virial[4] += r12[0]*r12[2]*fforce[1]; virial[5] += r12[1]*r12[2]*fforce[2]; virial[0] -= r12[0]*fforce[0]; virial[1] -= r12[1]*fforce[1]; virial[2] -= r12[2]*fforce[2]; virial[3] -= r12[0]*fforce[1]; virial[4] -= r12[0]*fforce[2]; virial[5] -= r12[1]*fforce[2]; } } } Loading Loading
src/ASPHERE/pair_gayberne.cpp +6 −6 Original line number Diff line number Diff line Loading @@ -196,12 +196,12 @@ void PairGayBerne::compute(int eflag, int vflag) if (vflag == 1) { if (newton_pair == 0 && j >= nlocal) for (m = 0; m < 6; m++) fforce[m] *= 0.5; virial[0] += r12[0]*r12[0]*fforce[0]; virial[1] += r12[1]*r12[1]*fforce[1]; virial[2] += r12[2]*r12[2]*fforce[2]; virial[3] += r12[0]*r12[1]*fforce[0]; virial[4] += r12[0]*r12[2]*fforce[1]; virial[5] += r12[1]*r12[2]*fforce[2]; virial[0] -= r12[0]*fforce[0]; virial[1] -= r12[1]*fforce[1]; virial[2] -= r12[2]*fforce[2]; virial[3] -= r12[0]*fforce[1]; virial[4] -= r12[0]*fforce[2]; virial[5] -= r12[1]*fforce[2]; } } } Loading
src/ASPHERE/pair_resquared.cpp +6 −6 Original line number Diff line number Diff line Loading @@ -206,12 +206,12 @@ void PairRESquared::compute(int eflag, int vflag) if (vflag == 1) { if (newton_pair == 0 && j >= nlocal) for (m = 0; m < 6; m++) fforce[m] *= 0.5; virial[0] += r12[0]*r12[0]*fforce[0]; virial[1] += r12[1]*r12[1]*fforce[1]; virial[2] += r12[2]*r12[2]*fforce[2]; virial[3] += r12[0]*r12[1]*fforce[0]; virial[4] += r12[0]*r12[2]*fforce[1]; virial[5] += r12[1]*r12[2]*fforce[2]; virial[0] -= r12[0]*fforce[0]; virial[1] -= r12[1]*fforce[1]; virial[2] -= r12[2]*fforce[2]; virial[3] -= r12[0]*fforce[1]; virial[4] -= r12[0]*fforce[2]; virial[5] -= r12[1]*fforce[2]; } } } Loading
