diff --git a/src/group.cpp b/src/group.cpp index 909e741c6b..136faa4059 100644 --- a/src/group.cpp +++ b/src/group.cpp @@ -1141,10 +1141,10 @@ void Group::xcm(int igroup, double masstotal, double *cm, Region *region) /* ---------------------------------------------------------------------- compute the center-of-mass velocity of group of atoms masstotal = total mass - return center-of-mass velocity in cm[] + return center-of-mass velocity in vcm[] ------------------------------------------------------------------------- */ -void Group::vcm(int igroup, double masstotal, double *cm) +void Group::vcm(int igroup, double masstotal, double *vcm) { int groupbit = bitmask[igroup]; @@ -1176,21 +1176,21 @@ void Group::vcm(int igroup, double masstotal, double *cm) } } - MPI_Allreduce(p, cm, 3, MPI_DOUBLE, MPI_SUM, world); + MPI_Allreduce(p, vcm, 3, MPI_DOUBLE, MPI_SUM, world); if (masstotal > 0.0) { - cm[0] /= masstotal; - cm[1] /= masstotal; - cm[2] /= masstotal; + vcm[0] /= masstotal; + vcm[1] /= masstotal; + vcm[2] /= masstotal; } } /* ---------------------------------------------------------------------- compute the center-of-mass velocity of group of atoms in region masstotal = total mass - return center-of-mass velocity in cm[] + return center-of-mass velocity in vcm[] ------------------------------------------------------------------------- */ -void Group::vcm(int igroup, double masstotal, double *cm, Region *region) +void Group::vcm(int igroup, double masstotal, double *vcm, Region *region) { int groupbit = bitmask[igroup]; region->prematch(); @@ -1224,11 +1224,11 @@ void Group::vcm(int igroup, double masstotal, double *cm, Region *region) } } - MPI_Allreduce(p, cm, 3, MPI_DOUBLE, MPI_SUM, world); + MPI_Allreduce(p, vcm, 3, MPI_DOUBLE, MPI_SUM, world); if (masstotal > 0.0) { - cm[0] /= masstotal; - cm[1] /= masstotal; - cm[2] /= masstotal; + vcm[0] /= masstotal; + vcm[1] /= masstotal; + vcm[2] /= masstotal; } } @@ -1236,7 +1236,7 @@ void Group::vcm(int igroup, double masstotal, double *cm, Region *region) compute the total force on group of atoms ------------------------------------------------------------------------- */ -void Group::fcm(int igroup, double *cm) +void Group::fcm(int igroup, double *fcm) { int groupbit = bitmask[igroup]; @@ -1254,14 +1254,14 @@ void Group::fcm(int igroup, double *cm) flocal[2] += f[i][2]; } - MPI_Allreduce(flocal, cm, 3, MPI_DOUBLE, MPI_SUM, world); + MPI_Allreduce(flocal, fcm, 3, MPI_DOUBLE, MPI_SUM, world); } /* ---------------------------------------------------------------------- compute the total force on group of atoms in region ------------------------------------------------------------------------- */ -void Group::fcm(int igroup, double *cm, Region *region) +void Group::fcm(int igroup, double *fcm, Region *region) { int groupbit = bitmask[igroup]; region->prematch(); @@ -1281,7 +1281,7 @@ void Group::fcm(int igroup, double *cm, Region *region) flocal[2] += f[i][2]; } - MPI_Allreduce(flocal, cm, 3, MPI_DOUBLE, MPI_SUM, world); + MPI_Allreduce(flocal, fcm, 3, MPI_DOUBLE, MPI_SUM, world); } /* ----------------------------------------------------------------------