ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3414 f3b2605a-c512-4ea7-a41b-209d697bcdaa

Browse Source
This commit is contained in:
sjplimp
2009-11-17 16:07:28 +00:00
parent ae7fa87a27
commit a78ba892af
26 changed files with 177 additions and 33 deletions
Download Patch File Download Diff File Expand all files Collapse all files

26
src/atom_vec_hybrid.cpp
View File

@ -118,29 +118,27 @@ void AtomVecHybrid::grow(int n)
for (int k = 0; k < nstyles; k++) styles[k]->grow(nmax);
atom->nextra_grow = tmp;
// pointers for arrays used directly by hybrid style
// insure sub-style ptrs and hybrid local ptrs are up to date
// for sub-styles, is in case sub-style reallocs actually realloced
tag = atom->tag;
type = atom->type;
mask = atom->mask;
image = atom->image;
x = atom->x;
v = atom->v;
f = atom->f;
omega = atom->omega;
angmom = atom->angmom;
for (int k = 0; k < nstyles; k++) styles[k]->grow_reset();
grow_reset();
if (atom->nextra_grow)
for (int iextra = 0; iextra < atom->nextra_grow; iextra++)
modify->fix[atom->extra_grow[iextra]]->grow_arrays(nmax);
}
/* ---------------------------------------------------------------------- */
/* ----------------------------------------------------------------------
reset local array ptrs
------------------------------------------------------------------------- */
void AtomVecHybrid::reset_special()
void AtomVecHybrid::grow_reset()
{
for (int k = 0; k < nstyles; k++) styles[k]->reset_special();
tag = atom->tag; type = atom->type;
mask = atom->mask; image = atom->image;
x = atom->x; v = atom->v; f = atom->f;
omega = atom->omega; angmom = atom->angmom;
}
/* ----------------------------------------------------------------------