silence compiler warnings
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@ -189,7 +189,7 @@ void PairCoulExclude::init_style()
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init for one type pair i,j and corresponding j,i
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init for one type pair i,j and corresponding j,i
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------------------------------------------------------------------------- */
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------------------------------------------------------------------------- */
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double PairCoulExclude::init_one(int i, int j)
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double PairCoulExclude::init_one(int /*i*/, int /*j*/)
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{
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{
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return cut_global;
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return cut_global;
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}
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}
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@ -194,7 +194,7 @@ void ComputeAngleLocal::compute_local()
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int ComputeAngleLocal::compute_angles(int flag)
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int ComputeAngleLocal::compute_angles(int flag)
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{
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{
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int i,m,n,na,atom1,atom2,atom3,imol,iatom,atype,ivar;
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int i,m,na,atom1,atom2,atom3,imol,iatom,atype,ivar;
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tagint tagprev;
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tagint tagprev;
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double delx1,dely1,delz1,delx2,dely2,delz2;
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double delx1,dely1,delz1,delx2,dely2,delz2;
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double rsq1,rsq2,r1,r2,c,theta;
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double rsq1,rsq2,r1,r2,c,theta;
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@ -2527,6 +2527,7 @@ void Neighbor::modify_params(int narg, char **arg)
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int i;
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int i;
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// Invalidate old user cutoffs
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// Invalidate old user cutoffs
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comm->ncollections_cutoff = 0;
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comm->ncollections_cutoff = 0;
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interval_collection_flag = 1;
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interval_collection_flag = 1;
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custom_collection_flag = 1;
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custom_collection_flag = 1;
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@ -2558,9 +2559,10 @@ void Neighbor::modify_params(int narg, char **arg)
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error->all(FLERR,"Invalid collection/type command");
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error->all(FLERR,"Invalid collection/type command");
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int ntypes = atom->ntypes;
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int ntypes = atom->ntypes;
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int n, nlo, nhi, i, j, k;
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int nlo, nhi, i, k;
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// Invalidate old user cutoffs
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// Invalidate old user cutoffs
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comm->ncollections_cutoff = 0;
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comm->ncollections_cutoff = 0;
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interval_collection_flag = 0;
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interval_collection_flag = 0;
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custom_collection_flag = 1;
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custom_collection_flag = 1;
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@ -2568,10 +2570,12 @@ void Neighbor::modify_params(int narg, char **arg)
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memory->create(type2collection,ntypes+1,"neigh:type2collection");
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memory->create(type2collection,ntypes+1,"neigh:type2collection");
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// Erase previous mapping
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// Erase previous mapping
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for (i = 1; i <= ntypes; i++)
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for (i = 1; i <= ntypes; i++)
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type2collection[i] = -1;
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type2collection[i] = -1;
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// For each custom range, define mapping for types in interval
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// For each custom range, define mapping for types in interval
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for (i = 0; i < ncollections; i++){
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for (i = 0; i < ncollections; i++){
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std::vector<std::string> words = Tokenizer(arg[iarg+2+i], ",").as_vector();
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std::vector<std::string> words = Tokenizer(arg[iarg+2+i], ",").as_vector();
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for (const auto &word : words) {
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for (const auto &word : words) {
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@ -2585,6 +2589,7 @@ void Neighbor::modify_params(int narg, char **arg)
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}
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}
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// Check for undefined atom type
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// Check for undefined atom type
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for (i = 1; i <= ntypes; i++){
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for (i = 1; i <= ntypes; i++){
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if (type2collection[i] == -1) {
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if (type2collection[i] == -1) {
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error->all(FLERR,"Type missing in collection/type commnd");
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error->all(FLERR,"Type missing in collection/type commnd");
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