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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13262 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2015-03-18 23:44:20 +00:00
parent 996a18cb83
commit acfc16d41a
3 changed files with 51 additions and 50 deletions
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1
src/KOKKOS/Install.sh
View File

@ -26,6 +26,7 @@ action () {
touch ../accelerator_kokkos.h
touch ../memory.h
touch ../special.cpp
# list of files with optional dependcies

98
src/MANYBODY/pair_eam.cpp
View File

@ -1,4 +1,4 @@
/* ----------------------------------------------------------------------
</* ----------------------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
http://lammps.sandia.gov, Sandia National Laboratories
Steve Plimpton, sjplimp@sandia.gov
@ -69,57 +69,57 @@ PairEAM::PairEAM(LAMMPS *lmp) : Pair(lmp)
PairEAM::~PairEAM()
{
if (!copymode) {
memory->destroy(rho);
memory->destroy(fp);
if (copymode) return;
if (allocated) {
memory->destroy(setflag);
memory->destroy(cutsq);
delete [] map;
delete [] type2frho;
memory->destroy(type2rhor);
memory->destroy(type2z2r);
}
memory->destroy(rho);
memory->destroy(fp);
if (funcfl) {
for (int i = 0; i < nfuncfl; i++) {
delete [] funcfl[i].file;
memory->destroy(funcfl[i].frho);
memory->destroy(funcfl[i].rhor);
memory->destroy(funcfl[i].zr);
}
memory->sfree(funcfl);
}
if (setfl) {
for (int i = 0; i < setfl->nelements; i++) delete [] setfl->elements[i];
delete [] setfl->elements;
delete [] setfl->mass;
memory->destroy(setfl->frho);
memory->destroy(setfl->rhor);
memory->destroy(setfl->z2r);
delete setfl;
}
if (fs) {
for (int i = 0; i < fs->nelements; i++) delete [] fs->elements[i];
delete [] fs->elements;
delete [] fs->mass;
memory->destroy(fs->frho);
memory->destroy(fs->rhor);
memory->destroy(fs->z2r);
delete fs;
}
memory->destroy(frho);
memory->destroy(rhor);
memory->destroy(z2r);
memory->destroy(frho_spline);
memory->destroy(rhor_spline);
memory->destroy(z2r_spline);
if (allocated) {
memory->destroy(setflag);
memory->destroy(cutsq);
delete [] map;
delete [] type2frho;
memory->destroy(type2rhor);
memory->destroy(type2z2r);
}
if (funcfl) {
for (int i = 0; i < nfuncfl; i++) {
delete [] funcfl[i].file;
memory->destroy(funcfl[i].frho);
memory->destroy(funcfl[i].rhor);
memory->destroy(funcfl[i].zr);
}
memory->sfree(funcfl);
}
if (setfl) {
for (int i = 0; i < setfl->nelements; i++) delete [] setfl->elements[i];
delete [] setfl->elements;
delete [] setfl->mass;
memory->destroy(setfl->frho);
memory->destroy(setfl->rhor);
memory->destroy(setfl->z2r);
delete setfl;
}
if (fs) {
for (int i = 0; i < fs->nelements; i++) delete [] fs->elements[i];
delete [] fs->elements;
delete [] fs->mass;
memory->destroy(fs->frho);
memory->destroy(fs->rhor);
memory->destroy(fs->z2r);
delete fs;
}
memory->destroy(frho);
memory->destroy(rhor);
memory->destroy(z2r);
memory->destroy(frho_spline);
memory->destroy(rhor_spline);
memory->destroy(z2r_spline);
}
/* ---------------------------------------------------------------------- */

2
src/fix.cpp
View File

@ -1,4 +1,4 @@
</* ----------------------------------------------------------------------
/* ----------------------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
http://lammps.sandia.gov, Sandia National Laboratories
Steve Plimpton, sjplimp@sandia.gov