git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@642 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp
2007-06-22 16:59:17 +00:00
parent 988a4479e8
commit cea0208207
42 changed files with 245 additions and 194 deletions

View File

@ -83,7 +83,7 @@ void ComputeTempDeform::init()
void ComputeTempDeform::recount()
{
double natoms = group->count(igroup);
dof = force->dimension * natoms;
dof = domain->dimension * natoms;
dof -= extra_dof + fix_dof;
if (dof > 0) tfactor = force->mvv2e / (dof * force->boltz);
else tfactor = 0.0;