git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@642 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
@ -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;
|
||||
|
||||
Reference in New Issue
Block a user