From e7e19bf0cbe1b4769f9422b9e5d72c1136b6fdaa Mon Sep 17 00:00:00 2001 From: sjplimp Date: Thu, 5 Mar 2015 15:57:12 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13195 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- src/velocity.cpp | 5 ++++- 1 file changed, 4 insertions(+), 1 deletion(-) diff --git a/src/velocity.cpp b/src/velocity.cpp index ba1bc06bd0..0723104e32 100644 --- a/src/velocity.cpp +++ b/src/velocity.cpp @@ -369,7 +369,10 @@ void Velocity::create(double t_desired, int seed) rescale(t,t_desired); // if bias_flag set, restore bias velocity to all atoms - // needed for bias = compute temp/partial to reset v dims to 0.0 + // reapply needed for temperature computes where velocity + // creation has messed up the bias that was already removed: + // compute temp/partial needs to reset v dims to 0.0 + // compute temp/cs needs to reset v to COM velocity of each C/S pair if (bias_flag) { temperature->reapply_bias_all();