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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5835 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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This commit is contained in:
sjplimp
2011-03-25 21:13:51 +00:00
parent e3cf018311
commit fbb475b9cd
149 changed files with 1402 additions and 1660 deletions
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8
src/fix_orient_fcc.cpp
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@ -159,7 +159,7 @@ FixOrientFCC::FixOrientFCC(LAMMPS *lmp, int narg, char **arg) :
nmax = atom->nmax;
nbr = (Nbr *) memory->smalloc(nmax*sizeof(Nbr),"orient/fcc:nbr");
order = memory->create_2d_double_array(nmax,2,"orient/fcc:order");
memory->create(order,nmax,2,"orient/fcc:order");
array_atom = order;
// zero the array since a variable may access it before first run
@ -175,7 +175,7 @@ FixOrientFCC::~FixOrientFCC()
delete [] xifilename;
delete [] chifilename;
memory->sfree(nbr);
memory->destroy_2d_double_array(order);
memory->destroy(order);
}
/* ---------------------------------------------------------------------- */
@ -256,9 +256,9 @@ void FixOrientFCC::post_force(int vflag)
if (nall > nmax) {
nmax = nall;
memory->sfree(nbr);
memory->destroy_2d_double_array(order);
memory->destroy(order);
nbr = (Nbr *) memory->smalloc(nmax*sizeof(Nbr),"orient/fcc:nbr");
order = memory->create_2d_double_array(nmax,2,"orient/fcc:order");
memory->create(order,nmax,2,"orient/fcc:order");
array_atom = order;
}