From 4d4622ab179c5cda73b7db7b4ad3dd10f85307d7 Mon Sep 17 00:00:00 2001 From: sjplimp Date: Mon, 29 Jul 2013 19:57:01 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10472 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- src/fix_langevin.cpp | 11 ++++------- 1 file changed, 4 insertions(+), 7 deletions(-) diff --git a/src/fix_langevin.cpp b/src/fix_langevin.cpp index dd55d1c3ad..d4eb9718a1 100644 --- a/src/fix_langevin.cpp +++ b/src/fix_langevin.cpp @@ -534,15 +534,12 @@ void FixLangevin::post_force_untemplated if (Tp_BIAS) { temperature->remove_bias(i,v[i]); + fdrag[0] = gamma1*v[i][0]; fdrag[1] = gamma1*v[i][1]; fdrag[2] = gamma1*v[i][2]; - fdrag[0] = gamma1*v[i][0]; - if (v[i][0] != 0.0) f[i][0] += fdrag[0] + fran[0]; - else fran[0] = 0.0; - if (v[i][1] != 0.0) f[i][1] += fdrag[1] + fran[1]; - else fran[1] = 0.0; - if (v[i][2] != 0.0) f[i][2] += fdrag[2] + fran[2]; - else fran[2] = 0.0; + if (v[i][0] == 0.0) fran[0] = 0.0; + if (v[i][1] == 0.0) fran[1] = 0.0; + if (v[i][2] == 0.0) fran[2] = 0.0; temperature->restore_bias(i,v[i]); } else { fdrag[0] = gamma1*v[i][0];