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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2944 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2009-07-02 14:32:20 +00:00
parent b5bb75bef2
commit 7940136d5d
1 changed files with 5 additions and 5 deletions
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10
src/ASPHERE/compute_temp_asphere.cpp
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@ -127,11 +127,12 @@ void ComputeTempAsphere::dof_compute()
{
// 6 dof for 3d, 3 dof for 2d
// assume full rotation of extended particles
// user can correct this via compute_modify if needed
// user should correct this via compute_modify if needed
double natoms = group->count(igroup);
if (domain->dimension == 3) dof = 6*natoms;
else dof = 3*natoms;
int nper = 6;
if (domain->dimension == 2) nper = 3;
dof = nper*natoms;
// additional adjustments to dof
@ -145,8 +146,7 @@ void ComputeTempAsphere::dof_compute()
if (tbias->dof_remove(i)) count++;
int count_all;
MPI_Allreduce(&count,&count_all,1,MPI_INT,MPI_SUM,world);
if (domain->dimension == 3) dof -= 6*count_all;
else dof -= 3*count_all;
dof -= nper*count_all;
}
dof -= extra_dof + fix_dof;