correct calls to memset()
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@ -211,6 +211,8 @@ FixGLE::FixGLE(LAMMPS *lmp, int narg, char **arg) :
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S = new double[ns1sq];
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TT = new double[ns1sq];
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ST = new double[ns1sq];
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memset(A,0,sizeof(double)*ns1sq);
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memset(C,0,sizeof(double)*ns1sq);
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// start temperature (t ramp)
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t_start = utils::numeric(FLERR,arg[4],false,lmp);
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@ -223,7 +225,6 @@ FixGLE::FixGLE(LAMMPS *lmp, int narg, char **arg) :
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// LOADING A matrix
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char *fname = arg[7];
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memset(A, ns1sq, sizeof(double));
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if (comm->me == 0) {
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PotentialFileReader reader(lmp,fname,"fix gle A matrix");
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try {
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@ -256,14 +257,12 @@ FixGLE::FixGLE(LAMMPS *lmp, int narg, char **arg) :
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if (fnoneq == 0) {
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t_target=t_start;
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const double kT = t_target * force->boltz / force->mvv2e;
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memset(C,0,sizeof(double)*ns1sq);
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for (int i=0; i<ns1sq; i+=(ns+2))
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C[i]=kT;
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} else {
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// LOADING C matrix
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memset(C, ns1sq, sizeof(double));
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if (comm->me == 0) {
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PotentialFileReader reader(lmp,fname,"fix gle C matrix");
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try {
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@ -99,7 +99,7 @@ void PairE3B::compute(int eflag, int vflag)
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ev_init(eflag, vflag);
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//clear sumExp array
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memset(sumExp, 0.0, nbytes);
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memset(sumExp, 0, sizeof(double)*maxID);
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evdwl = 0.0;
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pvector[0] = pvector[1] = pvector[2] = pvector[3] = 0.0;
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@ -364,7 +364,6 @@ void PairE3B::allocateE3B()
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maxID = find_maxID();
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if (!natoms) error->all(FLERR, "No atoms found");
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memory->create(sumExp, maxID, "pair:sumExp");
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nbytes = sizeof(double) * maxID;
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}
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/* ----------------------------------------------------------------------
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@ -50,7 +50,6 @@ class PairE3B : public Pair {
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int **pairO, ***pairH; // pair lists
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double ***exps, ****del3, ***fpair3, *sumExp;
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int maxID; //size of global sumExp array
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size_t nbytes; //size of sumExp array in bytes
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int natoms; //to make sure number of atoms is constant
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virtual void allocate();
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@ -637,7 +637,7 @@ void FixCMAP::read_grid_map(char *cmapfile)
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{
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if (comm->me == 0) {
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try {
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memset(&cmapgrid[0][0][0], 6*CMAPDIM*CMAPDIM, sizeof(double));
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memset(&cmapgrid[0][0][0], 0, 6*CMAPDIM*CMAPDIM*sizeof(double));
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PotentialFileReader reader(lmp, cmapfile, "cmap grid");
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// there are six maps in this order.
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@ -429,7 +429,7 @@ void FixACKS2ReaxFF::compute_X()
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double **x = atom->x;
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int *mask = atom->mask;
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memset(X_diag,0.0,atom->nmax*sizeof(double));
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memset(X_diag,0,atom->nmax*sizeof(double));
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// fill in the X matrix
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m_fill = 0;
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@ -1084,7 +1084,7 @@ void FixQEqReaxFF::vector_add(double* dest, double c, double* v, int k)
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void FixQEqReaxFF::get_chi_field()
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{
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memset(&chi_field[0],0.0,atom->nmax*sizeof(double));
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memset(&chi_field[0],0,atom->nmax*sizeof(double));
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if (!efield) return;
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const double * const *x = (const double * const *)atom->x;
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