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fix memory allocation bug causing memory corruption on 32-bit arches

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This commit is contained in:
Axel Kohlmeyer
2021-10-01 00:57:02 -04:00
parent c30ba70fab
commit 3d2f29c92d
2 changed files with 24 additions and 24 deletions
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22
src/EXTRA-MOLECULE/angle_gaussian.cpp
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@ -176,20 +176,20 @@ void AngleGaussian::compute(int eflag, int vflag)
void AngleGaussian::allocate()
{
allocated = 1;
int n = atom->nangletypes;
int n = atom->nangletypes+1;
memory->create(nterms,n+1,"angle:nterms");
memory->create(angle_temperature,n+1,"angle:angle_temperature");
memory->create(nterms,n,"angle:nterms");
memory->create(angle_temperature,n,"angle:angle_temperature");
alpha = new double *[n+1];
width = new double *[n+1];
theta0 = new double *[n+1];
memset(alpha,0,sizeof(double)*(n+1));
memset(width,0,sizeof(double)*(n+1));
memset(theta0,0,sizeof(double)*(n+1));
alpha = new double*[n];
width = new double*[n];
theta0 = new double*[n];
memset(alpha,0,sizeof(double *)*n);
memset(width,0,sizeof(double *)*n);
memset(theta0,0,sizeof(double *)*n);
memory->create(setflag,n+1,"angle:setflag");
for (int i = 1; i <= n; i++) setflag[i] = 0;
memory->create(setflag,n,"angle:setflag");
memset(setflag,0,sizeof(int)*n);
}
/* ----------------------------------------------------------------------

26
src/EXTRA-MOLECULE/bond_gaussian.cpp
View File

@ -14,8 +14,6 @@
#include "bond_gaussian.h"
#include <cmath>
#include <cstring>
#include "atom.h"
#include "neighbor.h"
#include "comm.h"
@ -24,6 +22,8 @@
#include "memory.h"
#include "error.h"
#include <cmath>
#include <cstring>
using namespace LAMMPS_NS;
using namespace MathConst;
@ -131,20 +131,20 @@ void BondGaussian::compute(int eflag, int vflag)
void BondGaussian::allocate()
{
allocated = 1;
int n = atom->nbondtypes;
int n = atom->nbondtypes+1;
memory->create(nterms,n+1,"bond:nterms");
memory->create(bond_temperature,n+1,"bond:bond_temperature");
memory->create(nterms,n,"bond:nterms");
memory->create(bond_temperature,n,"bond:bond_temperature");
alpha = new double *[n+1];
width = new double *[n+1];
r0 = new double *[n+1];
memset(alpha,0,sizeof(double)*(n+1));
memset(width,0,sizeof(double)*(n+1));
memset(r0,0,sizeof(double)*(n+1));
alpha = new double *[n];
width = new double *[n];
r0 = new double *[n];
memset(alpha,0,sizeof(double *)*n);
memset(width,0,sizeof(double *)*n);
memset(r0,0,sizeof(double *)*n);
memory->create(setflag,n+1,"bond:setflag");
for (int i = 1; i <= n; i++) setflag[i] = 0;
memory->create(setflag,n,"bond:setflag");
memset(setflag,0,sizeof(int)*n);
}
/* ----------------------------------------------------------------------