forked from lijiext/lammps
Fix whitespace
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447784212a
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636a1bffe3
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@ -1010,7 +1010,7 @@ void PairEAMFSKokkos<DeviceType>::read_file(char *filename)
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strcpy(file->elements[i], word.c_str());
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}
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//
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//
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line = reader.next_line(5);
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values = ValueTokenizer(line);
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@ -1022,7 +1022,7 @@ void PairEAMFSKokkos<DeviceType>::read_file(char *filename)
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if ((file->nrho <= 0) || (file->nr <= 0) || (file->dr <= 0.0))
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error->one(FLERR,"Invalid EAM potential file");
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memory->create(file->mass, file->nelements, "pair:mass");
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memory->create(file->frho, file->nelements, file->nrho + 1, "pair:frho");
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memory->create(file->rhor, file->nelements, file->nelements, file->nr + 1, "pair:rhor");
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@ -1049,7 +1049,7 @@ double PairEIM::memory_usage()
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return bytes;
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}
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EIMPotentialFileReader::EIMPotentialFileReader(LAMMPS * lmp, const std::string & filename) :
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EIMPotentialFileReader::EIMPotentialFileReader(LAMMPS * lmp, const std::string & filename) :
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Pointers(lmp), filename(filename)
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{
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if (comm->me != 0) {
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@ -1065,7 +1065,7 @@ EIMPotentialFileReader::EIMPotentialFileReader(LAMMPS * lmp, const std::string &
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}
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parse(fp);
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fclose(fp);
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}
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@ -1115,7 +1115,7 @@ char * EIMPotentialFileReader::next_line(FILE * fp) {
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// strip comment
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if ((ptr = strchr(line, '#'))) *ptr = '\0';
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// strip ampersand
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if ((ptr = strrchr(line, '&'))) {
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concat = true;
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@ -573,12 +573,12 @@ void PairPolymorphic::read_file(char *file)
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char * line = reader->next_line(2);
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ValueTokenizer values(line);
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int ntypes = values.next_int();
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if (ntypes != nelements)
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error->one(FLERR,"Incorrect number of elements in potential file");
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eta = values.next_int();
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// map the elements in the potential file to LAMMPS atom types
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@ -37,7 +37,7 @@ class PairTersoff : public Pair {
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static const int NPARAMS_PER_LINE = 17;
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protected:
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struct Param {
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double lam1,lam2,lam3;
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double c,d,h;
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@ -144,7 +144,7 @@ void PairEAMFSIntel::read_file(char *filename)
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strcpy(file->elements[i], word.c_str());
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}
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//
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//
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line = reader.next_line(5);
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values = ValueTokenizer(line);
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@ -156,7 +156,7 @@ void PairEAMFSIntel::read_file(char *filename)
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if ((file->nrho <= 0) || (file->nr <= 0) || (file->dr <= 0.0))
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error->one(FLERR,"Invalid EAM potential file");
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memory->create(file->mass, file->nelements, "pair:mass");
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memory->create(file->frho, file->nelements, file->nrho + 1, "pair:frho");
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memory->create(file->rhor, file->nelements, file->nelements, file->nr + 1, "pair:rhor");
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@ -144,7 +144,7 @@ void PairEAMFSOMP::read_file(char *filename)
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strcpy(file->elements[i], word.c_str());
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}
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//
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//
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line = reader.next_line(5);
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values = ValueTokenizer(line);
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@ -156,7 +156,7 @@ void PairEAMFSOMP::read_file(char *filename)
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if ((file->nrho <= 0) || (file->nr <= 0) || (file->dr <= 0.0))
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error->one(FLERR,"Invalid EAM potential file");
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memory->create(file->mass, file->nelements, "pair:mass");
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memory->create(file->frho, file->nelements, file->nrho + 1, "pair:frho");
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memory->create(file->rhor, file->nelements, file->nelements, file->nr + 1, "pair:rhor");
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@ -82,7 +82,7 @@ public:
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bool has_next() const;
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void skip(int ntokens);
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const size_t count() const;
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};
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@ -126,7 +126,7 @@ namespace LAMMPS_NS {
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*/
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tagint tnumeric(const char *file, int line, const char *str,
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bool do_abort, LAMMPS *lmp);
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/**
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* \brief Trim anything from '#' onward
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