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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4504 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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This commit is contained in:
sjplimp
2010-08-19 15:16:31 +00:00
parent c85e34a881
commit ad1adc6474
9 changed files with 62 additions and 3 deletions
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13
src/compute_temp_region.cpp
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@ -33,7 +33,11 @@ ComputeTempRegion::ComputeTempRegion(LAMMPS *lmp, int narg, char **arg) :
if (narg != 4) error->all("Illegal compute temp/region command");
iregion = domain->find_region(arg[3]);
if (iregion == -1) error->all("Temperature region ID does not exist");
if (iregion == -1)
error->all("Region ID for compute temp/region does not exist");
int n = strlen(arg[3]) + 1;
idregion = new char[n];
strcpy(idregion,arg[3]);
scalar_flag = vector_flag = 1;
size_vector = 6;
@ -51,6 +55,7 @@ ComputeTempRegion::ComputeTempRegion(LAMMPS *lmp, int narg, char **arg) :
ComputeTempRegion::~ComputeTempRegion()
{
delete [] idregion;
memory->destroy_2d_double_array(vbiasall);
delete [] vector;
}
@ -59,6 +64,12 @@ ComputeTempRegion::~ComputeTempRegion()
void ComputeTempRegion::init()
{
// set index and check validity of region
iregion = domain->find_region(idregion);
if (iregion == -1)
error->all("Region ID for temp reduce/region does not exist");
dof = 0.0;
}