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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4505 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2010-08-19 16:01:08 +00:00
parent ad1adc6474
commit 5ff00cfd0f
15 changed files with 118 additions and 8 deletions
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20
src/fix_heat.cpp
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@ -47,13 +47,17 @@ FixHeat::FixHeat(LAMMPS *lmp, int narg, char **arg) : Fix(lmp, narg, arg)
// optional args
iregion = -1;
idregion = NULL;
int iarg = 5;
while (iarg < narg) {
if (strcmp(arg[iarg],"region") == 0) {
if (iarg+2 > narg) error->all("Illegal fix heat command");
iregion = domain->find_region(arg[iarg+1]);
if (iregion == -1) error->all("Fix heat region ID does not exist");
if (iregion == -1) error->all("Region ID for fix heat does not exist");
int n = strlen(arg[iarg+1]) + 1;
idregion = new char[n];
strcpy(idregion,arg[iarg+1]);
iarg += 2;
} else error->all("Illegal fix heat command");
}
@ -63,6 +67,13 @@ FixHeat::FixHeat(LAMMPS *lmp, int narg, char **arg) : Fix(lmp, narg, arg)
/* ---------------------------------------------------------------------- */
FixHeat::~FixHeat()
{
delete [] idregion;
}
/* ---------------------------------------------------------------------- */
int FixHeat::setmask()
{
int mask = 0;
@ -74,6 +85,13 @@ int FixHeat::setmask()
void FixHeat::init()
{
// set index and check validity of region
if (iregion >= 0) {
iregion = domain->find_region(idregion);
if (iregion == -1) error->all("Region ID for fix heat does not exist");
}
// cannot have 0 atoms in group
if (group->count(igroup) == 0.0) error->all("Fix heat group has no atoms");