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silence compiler warnings

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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
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4
src/AMOEBA/amoeba_induce.cpp
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@ -53,8 +53,7 @@ enum{GORDON1,GORDON2};
void PairAmoeba::induce() void PairAmoeba::induce()
{ {
bool done; bool done;
int i,j,m,itype; int i,j,m,itype,iter;
int iter,maxiter;
double polmin; double polmin;
double eps,epsold; double eps,epsold;
double epsd,epsp; double epsd,epsp;
@ -159,7 +158,6 @@ void PairAmoeba::induce()
if (poltyp == MUTUAL) { if (poltyp == MUTUAL) {
done = false; done = false;
maxiter = 100;
iter = 0; iter = 0;
polmin = 0.00000001; polmin = 0.00000001;
eps = 100.0; eps = 100.0;

2
src/MISC/pair_srp_react.h
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@ -34,7 +34,7 @@ class PairSRPREACT : public PairSRP {
private: private:
char *idbreak; char *idbreak;
char *idcreate; char *idcreate;
bool bond_create, bond_break; bool bond_break, bond_create;
}; };
} // namespace LAMMPS_NS } // namespace LAMMPS_NS
#endif #endif

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

3
src/REAXFF/fix_reaxff_species.cpp
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@ -827,12 +827,11 @@ void FixReaxFFSpecies::WritePos(int Nmole, int Nspec)
void FixReaxFFSpecies::DeleteSpecies(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 ndel, ndelone, count, count_tmp;
int *Nameall; int *Nameall;
int *mask = atom->mask; int *mask = atom->mask;
double localmass, totalmass; double localmass, totalmass;
double **spec_atom = f_SPECBOND->array_atom;
std::string species_str; std::string species_str;
AtomVec *avec = atom->avec; AtomVec *avec = atom->avec;

4
src/SMTBQ/pair_smtbq.cpp
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@ -1232,8 +1232,6 @@ void PairSMTBQ::tabqeq()
double aCoeff,bCoeff,rcoupe,nang; double aCoeff,bCoeff,rcoupe,nang;
int n = atom->ntypes; int n = atom->ntypes;
int nlocal = atom->nlocal;
int nghost = atom->nghost;
nmax = atom->nmax; nmax = atom->nmax;
nntype = int((n+1)*n/2); nntype = int((n+1)*n/2);
@ -1242,7 +1240,7 @@ void PairSMTBQ::tabqeq()
#if VERBOSE #if VERBOSE
printf ("kmax %d, ds %f, nmax %d\n",kmax,ds,nmax); 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); printf ("nntypes %d, kmax %d, rc %f, n %d\n",nntype,kmax,rc,n);
#endif #endif