diff --git a/src/COLLOID/pair_brownian.cpp b/src/COLLOID/pair_brownian.cpp index e1ef7ceb87..9eecffac21 100644 --- a/src/COLLOID/pair_brownian.cpp +++ b/src/COLLOID/pair_brownian.cpp @@ -93,7 +93,6 @@ void PairBrownian::compute(int eflag, int vflag) // This section of code adjusts R0/RT0/RS0 if necessary due to changes // in the volume fraction as a result of fix deform or moving walls - double dims[3], wallcoord; if (flagVF) // Flag for volume fraction corrections if (flagdeform || flagwall == 2) { // Possible changes in volume fraction @@ -136,12 +135,10 @@ void PairBrownian::compute(int eflag, int vflag) prethermostat = sqrt(24.0 * force->boltz * t_target / update->dt); prethermostat *= sqrt(force->vxmu2f / force->ftm2v / force->mvv2e); - inum = list->inum; ilist = list->ilist; numneigh = list->numneigh; firstneigh = list->firstneigh; - for (ii = 0; ii < inum; ii++) { i = ilist[ii]; xtmp = x[i][0]; @@ -164,7 +161,6 @@ void PairBrownian::compute(int eflag, int vflag) torque[i][2] += prethermostat * sqrt(RT0) * (random->uniform() - 0.5); } } - if (!flagHI) continue; for (jj = 0; jj < jnum; jj++) { @@ -238,7 +234,6 @@ void PairBrownian::compute(int eflag, int vflag) fz += Fbmag * randr * p2[2]; randr = random->uniform() - 0.5; - fx += Fbmag * randr * p3[0]; fy += Fbmag * randr * p3[1]; fz += Fbmag * randr * p3[2]; @@ -249,7 +244,6 @@ void PairBrownian::compute(int eflag, int vflag) fx = vxmu2f * fx; fy = vxmu2f * fy; fz = vxmu2f * fz; - // sum to total force f[i][0] -= fx; @@ -302,13 +296,11 @@ void PairBrownian::compute(int eflag, int vflag) // force in each direction randr = random->uniform() - 0.5; - tx = Fbmag * randr * p2[0]; ty = Fbmag * randr * p2[1]; tz = Fbmag * randr * p2[2]; randr = random->uniform() - 0.5; - tx += Fbmag * randr * p3[0]; ty += Fbmag * randr * p3[1]; tz += Fbmag * randr * p3[2]; @@ -331,7 +323,7 @@ void PairBrownian::compute(int eflag, int vflag) } } } - + if (vflag_fdotr) virial_fdotr_compute(); }