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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15564 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2016-09-10 20:19:52 +00:00
parent 99d5bf89bc
commit a8d7ca367d
4 changed files with 8 additions and 5 deletions
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6
src/MISC/fix_ttm.cpp
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@ -87,7 +87,8 @@ FixTTM::FixTTM(LAMMPS *lmp, int narg, char **arg) :
// error check
if (seed <= 0) error->all(FLERR,"Invalid random number seed in fix ttm command");
if (seed <= 0)
error->all(FLERR,"Invalid random number seed in fix ttm command");
if (electronic_specific_heat <= 0.0)
error->all(FLERR,"Fix ttm electronic_specific_heat must be > 0.0");
if (electronic_density <= 0.0)
@ -342,7 +343,8 @@ void FixTTM::read_initial_electron_temperatures()
while (1) {
if (fgets(line,MAXLINE,fpr) == NULL) break;
sscanf(line,"%d %d %d %lg",&ixnode,&iynode,&iznode,&T_tmp);
if (T_tmp < 0.0) error->one(FLERR,"Fix ttm electron temperatures must be > 0.0");
if (T_tmp < 0.0)
error->one(FLERR,"Fix ttm electron temperatures must be > 0.0");
T_electron[ixnode][iynode][iznode] = T_tmp;
T_initial_set[ixnode][iynode][iznode] = 1;
}