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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13402 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2015-04-11 23:17:54 +00:00
parent 29e574b720
commit 4ae6abbea5
1 changed files with 4 additions and 1 deletions
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5
src/compute_temp_profile.cpp
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@ -197,7 +197,10 @@ void ComputeTempProfile::dof_compute()
adjust_dof_fix(); adjust_dof_fix();
natoms_temp = group->count(igroup); natoms_temp = group->count(igroup);
dof = domain->dimension * natoms_temp; dof = domain->dimension * natoms_temp;
dof -= extra_dof + fix_dof;
// subtract additional d*Nbins DOF, as in Evans and Morriss paper
dof -= extra_dof + fix_dof + domain->dimension*nbins;
if (dof > 0) tfactor = force->mvv2e / (dof * force->boltz); if (dof > 0) tfactor = force->mvv2e / (dof * force->boltz);
else tfactor = 0.0; else tfactor = 0.0;
} }