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lammps
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4864 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2010-09-27 16:48:24 +00:00
parent c15dcd0c02
commit cffe7605c9
1 changed files with 4 additions and 1 deletions
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5
src/fix_langevin.cpp
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@ -96,6 +96,9 @@ FixLangevin::FixLangevin(LAMMPS *lmp, int narg, char **arg) :
id_temp = NULL;
temperature = NULL;
// flangevin is unallocated until first call to setup()
// compute_scalar checks for this and returns 0.0 if flangevin is NULL
flangevin = NULL;
nmax = 0;
energy = 0.0;
@ -460,7 +463,7 @@ int FixLangevin::modify_param(int narg, char **arg)
double FixLangevin::compute_scalar()
{
if (!tally) return 0.0;
if (!tally || flangevin == NULL) return 0.0;
// capture the very first energy transfer to thermal reservoir