silence compiler warnings

This commit is contained in:
Axel Kohlmeyer
2022-08-12 17:13:44 -04:00
parent 35e93e760a
commit 894b053ef4
5 changed files with 13 additions and 18 deletions

View File

@ -53,8 +53,7 @@ enum{GORDON1,GORDON2};
void PairAmoeba::induce()
{
bool done;
int i,j,m,itype;
int iter,maxiter;
int i,j,m,itype,iter;
double polmin;
double eps,epsold;
double epsd,epsp;
@ -159,7 +158,6 @@ void PairAmoeba::induce()
if (poltyp == MUTUAL) {
done = false;
maxiter = 100;
iter = 0;
polmin = 0.00000001;
eps = 100.0;

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@ -34,7 +34,7 @@ class PairSRPREACT : public PairSRP {
private:
char *idbreak;
char *idcreate;
bool bond_create, bond_break;
bool bond_break, bond_create;
};
} // namespace LAMMPS_NS
#endif

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@ -539,18 +539,18 @@ void ComputeSnap::compute_array()
for (int icoeff = 0; icoeff < ncoeff; icoeff++)
snap[irow][k++] += snaptr->blist[icoeff];
// quadratic contributions
// quadratic contributions
if (quadraticflag) {
for (int icoeff = 0; icoeff < ncoeff; icoeff++) {
double bveci = snaptr->blist[icoeff];
snap[irow][k++] += 0.5*bveci*bveci;
for (int jcoeff = icoeff+1; jcoeff < ncoeff; jcoeff++) {
double bvecj = snaptr->blist[jcoeff];
snap[irow][k++] += bveci*bvecj;
}
if (quadraticflag) {
for (int icoeff = 0; icoeff < ncoeff; icoeff++) {
double bveci = snaptr->blist[icoeff];
snap[irow][k++] += 0.5*bveci*bveci;
for (int jcoeff = icoeff+1; jcoeff < ncoeff; jcoeff++) {
double bvecj = snaptr->blist[jcoeff];
snap[irow][k++] += bveci*bvecj;
}
}
}
} else {
int k = 3;

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@ -827,12 +827,11 @@ void FixReaxFFSpecies::WritePos(int Nmole, int Nspec)
void FixReaxFFSpecies::DeleteSpecies(int Nmole, int Nspec)
{
int i, j, m, n, k, itype, cid;
int i, j, m, n, itype, cid;
int ndel, ndelone, count, count_tmp;
int *Nameall;
int *mask = atom->mask;
double localmass, totalmass;
double **spec_atom = f_SPECBOND->array_atom;
std::string species_str;
AtomVec *avec = atom->avec;

View File

@ -1232,8 +1232,6 @@ void PairSMTBQ::tabqeq()
double aCoeff,bCoeff,rcoupe,nang;
int n = atom->ntypes;
int nlocal = atom->nlocal;
int nghost = atom->nghost;
nmax = atom->nmax;
nntype = int((n+1)*n/2);
@ -1242,7 +1240,7 @@ void PairSMTBQ::tabqeq()
#if VERBOSE
printf ("kmax %d, ds %f, nmax %d\n",kmax,ds,nmax);
printf ("nlocal = %d, nghost = %d\n",nlocal,nghost);
printf ("nlocal = %d, nghost = %d\n",atom->nlocal,atom->nghost);
printf ("nntypes %d, kmax %d, rc %f, n %d\n",nntype,kmax,rc,n);
#endif