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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@191 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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pscrozi
2006-12-13 16:50:24 +00:00
parent e5d19d4a9e
commit 869e9ba92e
3 changed files with 15 additions and 4 deletions
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7
src/fix_rigid.cpp
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@ -832,11 +832,14 @@ int FixRigid::dof(int igroup)
int *nall = new int[nbody];
MPI_Allreduce(ncount,nall,nbody,MPI_INT,MPI_SUM,world);
// remove 3N - 6 dof for each rigid body if at least 2 atoms are in igroup
// remove 3N - 6 dof for each rigid body if more than 2 atoms are in igroup
// remove 3N - 5 dof for each diatomic rigid body
int n = 0;
for (int ibody = 0; ibody < nbody; ibody++)
for (int ibody = 0; ibody < nbody; ibody++) {
if (nall[ibody] > 2) n += 3*nall[ibody] - 6;
else if (nall[ibody] == 2) n++;
}
delete [] ncount;
delete [] nall;