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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5995 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2011-04-21 22:45:00 +00:00
parent 428bdd0b09
commit a63accb1e8
1 changed files with 6 additions and 2 deletions
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8
src/atom_vec_ellipsoid.cpp
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@ -125,7 +125,6 @@ void AtomVecEllipsoid::grow_bonus()
/* ----------------------------------------------------------------------
copy atom I info to atom J
if delflag and atom J has bonus data, then delete it
------------------------------------------------------------------------- */
void AtomVecEllipsoid::copy(int i, int j, int delflag)
@ -146,12 +145,17 @@ void AtomVecEllipsoid::copy(int i, int j, int delflag)
angmom[j][1] = angmom[i][1];
angmom[j][2] = angmom[i][2];
// if delflag and atom J has bonus data, then delete it
if (delflag && ellipsoid[j] >= 0) {
copy_bonus(nlocal_bonus-1,ellipsoid[j]);
nlocal_bonus--;
}
// if atom I has bonus data and not deleting I, repoint I's bonus to J
if (ellipsoid[i] >= 0 && i != j) bonus[ellipsoid[i]].ilocal = j;
ellipsoid[j] = ellipsoid[i];
if (ellipsoid[j] >= 0) bonus[ellipsoid[j]].ilocal = j;
if (atom->nextra_grow)
for (int iextra = 0; iextra < atom->nextra_grow; iextra++)