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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9346 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2013-01-31 16:31:03 +00:00
parent 21590469d0
commit 0c6b84987c
55 changed files with 498 additions and 170 deletions
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10
src/atom_vec_line.cpp
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@ -32,8 +32,7 @@ using namespace LAMMPS_NS;
/* ---------------------------------------------------------------------- */
AtomVecLine::AtomVecLine(LAMMPS *lmp, int narg, char **arg) :
AtomVec(lmp, narg, arg)
AtomVecLine::AtomVecLine(LAMMPS *lmp) : AtomVec(lmp)
{
molecular = 0;
@ -116,6 +115,7 @@ void AtomVecLine::grow_reset()
x = atom->x; v = atom->v; f = atom->f;
molecule = atom->molecule; rmass = atom->rmass;
omega = atom->omega; torque = atom->torque;
line = atom->line;
}
/* ----------------------------------------------------------------------
@ -155,16 +155,16 @@ void AtomVecLine::copy(int i, int j, int delflag)
omega[j][1] = omega[i][1];
omega[j][2] = omega[i][2];
// if delflag and atom J has bonus data, then delete it
// if deleting atom J via delflag and J has bonus data, then delete it
if (delflag && line[j] >= 0) {
copy_bonus(nlocal_bonus-1,line[j]);
nlocal_bonus--;
}
// if atom I has bonus data and not deleting I, repoint I's bonus to J
// if atom I has bonus data, reset I's bonus.ilocal to loc J
if (line[i] >= 0 && i != j) bonus[line[i]].ilocal = j;
if (line[i] >= 0) bonus[line[i]].ilocal = j;
line[j] = line[i];
if (atom->nextra_grow)