From 98c263cd008579fcf3aa62e075f53d57ac5ce189 Mon Sep 17 00:00:00 2001 From: sjplimp Date: Thu, 5 Mar 2015 15:40:04 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13194 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- src/compute_temp_partial.cpp | 12 +++--------- 1 file changed, 3 insertions(+), 9 deletions(-) diff --git a/src/compute_temp_partial.cpp b/src/compute_temp_partial.cpp index 05bafb1970..a9468103ce 100644 --- a/src/compute_temp_partial.cpp +++ b/src/compute_temp_partial.cpp @@ -218,9 +218,9 @@ void ComputeTempPartial::remove_bias_all() } /* ---------------------------------------------------------------------- - reset thermal velocity of atoms to be consistent with bias - called from velocity command after creating thermal velocities - needed to re-zero components that should stay zero + reset thermal velocity of all atoms to be consistent with bias + called from velocity command after it creates thermal velocities + this re-zero components that should stay zero ------------------------------------------------------------------------- */ void ComputeTempPartial::reapply_bias_all() @@ -229,12 +229,6 @@ void ComputeTempPartial::reapply_bias_all() int *mask = atom->mask; int nlocal = atom->nlocal; - if (nlocal > maxbias) { - memory->destroy(vbiasall); - maxbias = atom->nmax; - memory->create(vbiasall,maxbias,3,"temp/partial:vbiasall"); - } - if (!xflag) { for (int i = 0; i < nlocal; i++) if (mask[i] & groupbit) v[i][0] = 0.0;