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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13351 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2015-03-31 23:50:13 +00:00
parent e8bd5c5bf9
commit bb28465783
5 changed files with 85 additions and 92 deletions
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4
src/compute_temp.cpp
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@ -64,8 +64,8 @@ void ComputeTemp::dof_compute()
double natoms = group->count(igroup);
dof = domain->dimension * natoms;
dof -= extra_dof + fix_dof;
if (dof < 0.0 && natoms > 0.0)
error->all(FLERR,"Temperature compute degrees of freedom < 0");
//if (dof < 0.0 && natoms > 0.0)
// error->all(FLERR,"Temperature compute degrees of freedom < 0");
if (dof > 0.0) tfactor = force->mvv2e / (dof * force->boltz);
else tfactor = 0.0;
}