ICODE-ADC/lammps
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5836 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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This commit is contained in:
sjplimp
2011-03-26 00:50:29 +00:00
parent fbb475b9cd
commit 1f2a7add78
131 changed files with 1278 additions and 1496 deletions
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6
src/compute_ke_atom.cpp
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@ -41,7 +41,7 @@ ComputeKEAtom::ComputeKEAtom(LAMMPS *lmp, int narg, char **arg) :
ComputeKEAtom::~ComputeKEAtom()
{
memory->sfree(ke);
memory->destroy(ke);
}
/* ---------------------------------------------------------------------- */
@ -64,9 +64,9 @@ void ComputeKEAtom::compute_peratom()
// grow ke array if necessary
if (atom->nlocal > nmax) {
memory->sfree(ke);
memory->destroy(ke);
nmax = atom->nmax;
ke = (double *) memory->smalloc(nmax*sizeof(double),"ke/atom:ke");
memory->create(ke,nmax,"ke/atom:ke");
vector_atom = ke;
}