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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13345 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2015-03-31 18:48:37 +00:00
parent 269bff4b14
commit 400d10dc0c
3 changed files with 6 additions and 7 deletions
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4
src/CORESHELL/compute_temp_cs.cpp
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@ -208,7 +208,7 @@ void ComputeTempCS::setup()
void ComputeTempCS::dof_compute()
{
fix_dof = modify->adjust_dof_fix(igroup);
adjust_dof_fix();
int nper = domain->dimension;
double natoms = group->count(igroup);
dof = nper * natoms;
@ -256,7 +256,7 @@ double ComputeTempCS::compute_scalar()
MPI_Allreduce(&t,&scalar,1,MPI_DOUBLE,MPI_SUM,world);
if (dynamic) dof_compute();
if (tfactor == 0.0 && scalar != 0.0)
if (tfactor == 0.0 && atom->natoms != 0)
error->all(FLERR,"Temperature compute degrees of freedom < 0");
scalar *= tfactor;
return scalar;