diff --git a/src/COMPRESS/dump_atom_zstd.cpp b/src/COMPRESS/dump_atom_zstd.cpp index 8fb08db3c8..1ea21292e8 100644 --- a/src/COMPRESS/dump_atom_zstd.cpp +++ b/src/COMPRESS/dump_atom_zstd.cpp @@ -98,7 +98,7 @@ void DumpAtomZstd::openfile() try { writer.open(filecurrent); - } catch (FileWriterException & e) { + } catch (FileWriterException &e) { error->one(FLERR, e.what()); } } @@ -185,7 +185,7 @@ int DumpAtomZstd::modify_param(int narg, char **arg) writer.setCompressionLevel(compression_level); return 2; } - } catch (FileWriterException & e) { + } catch (FileWriterException &e) { error->one(FLERR, e.what()); } } diff --git a/src/COMPRESS/dump_cfg_zstd.cpp b/src/COMPRESS/dump_cfg_zstd.cpp index 5948a3f83e..3f2ae5425b 100644 --- a/src/COMPRESS/dump_cfg_zstd.cpp +++ b/src/COMPRESS/dump_cfg_zstd.cpp @@ -101,7 +101,7 @@ void DumpCFGZstd::openfile() try { writer.open(filecurrent); - } catch (FileWriterException & e) { + } catch (FileWriterException &e) { error->one(FLERR, e.what()); } } @@ -187,7 +187,7 @@ int DumpCFGZstd::modify_param(int narg, char **arg) writer.setCompressionLevel(compression_level); return 2; } - } catch (FileWriterException & e) { + } catch (FileWriterException &e) { error->one(FLERR, e.what()); } } diff --git a/src/COMPRESS/dump_custom_zstd.cpp b/src/COMPRESS/dump_custom_zstd.cpp index c7ede3b38c..0925652455 100644 --- a/src/COMPRESS/dump_custom_zstd.cpp +++ b/src/COMPRESS/dump_custom_zstd.cpp @@ -98,7 +98,7 @@ void DumpCustomZstd::openfile() try { writer.open(filecurrent); - } catch (FileWriterException & e) { + } catch (FileWriterException &e) { error->one(FLERR, e.what()); } } @@ -185,7 +185,7 @@ int DumpCustomZstd::modify_param(int narg, char **arg) writer.setCompressionLevel(compression_level); return 2; } - } catch (FileWriterException & e) { + } catch (FileWriterException &e) { error->one(FLERR, e.what()); } } diff --git a/src/COMPRESS/dump_local_zstd.cpp b/src/COMPRESS/dump_local_zstd.cpp index 9393654dd6..9c7c2fed34 100644 --- a/src/COMPRESS/dump_local_zstd.cpp +++ b/src/COMPRESS/dump_local_zstd.cpp @@ -100,7 +100,7 @@ void DumpLocalZstd::openfile() try { writer.open(filecurrent); - } catch (FileWriterException & e) { + } catch (FileWriterException &e) { error->one(FLERR, e.what()); } } @@ -185,7 +185,7 @@ int DumpLocalZstd::modify_param(int narg, char **arg) writer.setCompressionLevel(compression_level); return 2; } - } catch (FileWriterException & e) { + } catch (FileWriterException &e) { error->one(FLERR, e.what()); } } diff --git a/src/COMPRESS/dump_xyz_zstd.cpp b/src/COMPRESS/dump_xyz_zstd.cpp index eb0600f34b..5e871d7d87 100644 --- a/src/COMPRESS/dump_xyz_zstd.cpp +++ b/src/COMPRESS/dump_xyz_zstd.cpp @@ -98,7 +98,7 @@ void DumpXYZZstd::openfile() try { writer.open(filecurrent); - } catch (FileWriterException & e) { + } catch (FileWriterException &e) { error->one(FLERR, e.what()); } } @@ -159,7 +159,7 @@ int DumpXYZZstd::modify_param(int narg, char **arg) writer.setCompressionLevel(compression_level); return 2; } - } catch (FileWriterException & e) { + } catch (FileWriterException &e) { error->one(FLERR, e.what()); } } diff --git a/src/COMPRESS/zstd_file_writer.cpp b/src/COMPRESS/zstd_file_writer.cpp index e764409c73..68ac1217f5 100644 --- a/src/COMPRESS/zstd_file_writer.cpp +++ b/src/COMPRESS/zstd_file_writer.cpp @@ -46,7 +46,7 @@ ZstdFileWriter::~ZstdFileWriter() /* ---------------------------------------------------------------------- */ -void ZstdFileWriter::open(const std::string & path) +void ZstdFileWriter::open(const std::string &path) { if(isopen()) return; diff --git a/src/COMPRESS/zstd_file_writer.h b/src/COMPRESS/zstd_file_writer.h index eec993bd4e..30afc86994 100644 --- a/src/COMPRESS/zstd_file_writer.h +++ b/src/COMPRESS/zstd_file_writer.h @@ -38,7 +38,7 @@ class ZstdFileWriter : public FileWriter { public: ZstdFileWriter(); virtual ~ZstdFileWriter(); - virtual void open(const std::string & path) override; + virtual void open(const std::string &path) override; virtual void close() override; virtual void flush() override; virtual size_t write(const void * buffer, size_t length) override; diff --git a/src/GPU/pair_eam_alloy_gpu.cpp b/src/GPU/pair_eam_alloy_gpu.cpp index 998ca92936..dabf4c6f57 100644 --- a/src/GPU/pair_eam_alloy_gpu.cpp +++ b/src/GPU/pair_eam_alloy_gpu.cpp @@ -438,7 +438,7 @@ void PairEAMAlloyGPU::read_file(char *filename) } } } - } catch (TokenizerException & e) { + } catch (TokenizerException &e) { error->one(FLERR, e.what()); } } diff --git a/src/GPU/pair_eam_fs_gpu.cpp b/src/GPU/pair_eam_fs_gpu.cpp index 5559bb470f..e2d2dc6bdf 100644 --- a/src/GPU/pair_eam_fs_gpu.cpp +++ b/src/GPU/pair_eam_fs_gpu.cpp @@ -441,7 +441,7 @@ void PairEAMFSGPU::read_file(char *filename) } } } - } catch (TokenizerException & e) { + } catch (TokenizerException &e) { error->one(FLERR, e.what()); } } diff --git a/src/KIM/kim_query.cpp b/src/KIM/kim_query.cpp index ec13210665..1fb003546f 100644 --- a/src/KIM/kim_query.cpp +++ b/src/KIM/kim_query.cpp @@ -338,8 +338,8 @@ char *do_query(char *qfunction, char * model_name, int narg, char **arg, /* ---------------------------------------------------------------------- */ -void KimQuery::echo_var_assign(const std::string & name, - const std::string & value) const +void KimQuery::echo_var_assign(const std::string &name, + const std::string &value) const { input->write_echo(fmt::format("variable {} string {}\n",name,value)); } diff --git a/src/KOKKOS/pair_eam_alloy_kokkos.cpp b/src/KOKKOS/pair_eam_alloy_kokkos.cpp index 52882c8be8..724de46057 100644 --- a/src/KOKKOS/pair_eam_alloy_kokkos.cpp +++ b/src/KOKKOS/pair_eam_alloy_kokkos.cpp @@ -1052,7 +1052,7 @@ void PairEAMAlloyKokkos::read_file(char *filename) } } } - } catch (TokenizerException & e) { + } catch (TokenizerException &e) { error->one(FLERR, e.what()); } } diff --git a/src/KOKKOS/pair_eam_fs_kokkos.cpp b/src/KOKKOS/pair_eam_fs_kokkos.cpp index d697cfbe9a..2667c21517 100644 --- a/src/KOKKOS/pair_eam_fs_kokkos.cpp +++ b/src/KOKKOS/pair_eam_fs_kokkos.cpp @@ -1055,7 +1055,7 @@ void PairEAMFSKokkos::read_file(char *filename) } } } - } catch (TokenizerException & e) { + } catch (TokenizerException &e) { error->one(FLERR, e.what()); } } diff --git a/src/MANYBODY/pair_adp.cpp b/src/MANYBODY/pair_adp.cpp index 3b98c91cb8..f293e51906 100644 --- a/src/MANYBODY/pair_adp.cpp +++ b/src/MANYBODY/pair_adp.cpp @@ -610,7 +610,7 @@ void PairADP::read_file(char *filename) reader.next_dvector(&file->w2r[i][j][1], file->nr); } } - } catch (TokenizerException & e) { + } catch (TokenizerException &e) { error->one(FLERR, e.what()); } } diff --git a/src/MANYBODY/pair_airebo.cpp b/src/MANYBODY/pair_airebo.cpp index eb92e0c58a..470dbd838d 100644 --- a/src/MANYBODY/pair_airebo.cpp +++ b/src/MANYBODY/pair_airebo.cpp @@ -3634,12 +3634,12 @@ void PairAIREBO::read_file(char *filename) } } } - } catch (TokenizerException & e) { + } catch (TokenizerException &e) { std::string msg = fmt::format("ERROR reading {} section in {} file\n" "REASON: {}\n", current_section, potential_name, e.what()); error->one(FLERR, msg); - } catch (FileReaderException & fre) { + } catch (FileReaderException &fre) { error->one(FLERR, fre.what()); std::string msg = fmt::format("ERROR reading {} section in {} file\n" "REASON: {}\n", diff --git a/src/MANYBODY/pair_bop.cpp b/src/MANYBODY/pair_bop.cpp index 4c7d30e457..c47fc656c1 100644 --- a/src/MANYBODY/pair_bop.cpp +++ b/src/MANYBODY/pair_bop.cpp @@ -5223,9 +5223,9 @@ void _noopt PairBOP::read_table(char *filename) } } } - } catch (TokenizerException & e) { + } catch (TokenizerException &e) { error->one(FLERR, e.what()); - } catch (FileReaderException & fre) { + } catch (FileReaderException &fre) { error->one(FLERR, fre.what()); } } diff --git a/src/MANYBODY/pair_comb.cpp b/src/MANYBODY/pair_comb.cpp index 95b49b98f9..1c1bcfd6c3 100644 --- a/src/MANYBODY/pair_comb.cpp +++ b/src/MANYBODY/pair_comb.cpp @@ -679,7 +679,7 @@ void PairComb::read_file(char *file) params[nparams].cml2 = values.next_double(); params[nparams].coulcut = values.next_double(); params[nparams].hfocor = values.next_double(); - } catch (TokenizerException & e) { + } catch (TokenizerException &e) { error->one(FLERR, e.what()); } diff --git a/src/MANYBODY/pair_comb3.cpp b/src/MANYBODY/pair_comb3.cpp index 01a1538f7b..534fcdafd5 100644 --- a/src/MANYBODY/pair_comb3.cpp +++ b/src/MANYBODY/pair_comb3.cpp @@ -450,9 +450,9 @@ void PairComb3::read_lib() } } - } catch (FileReaderException & fre) { + } catch (FileReaderException &fre) { error->one(FLERR, fre.what()); - } catch (TokenizerException & e) { + } catch (TokenizerException &e) { error->one(FLERR, e.what()); } } @@ -640,7 +640,7 @@ void PairComb3::read_file(char *file) params[nparams].addrep = values.next_double(); params[nparams].pcross = values.next_double(); params[nparams].powermint = int(params[nparams].powerm); - } catch (TokenizerException & e) { + } catch (TokenizerException &e) { error->one(FLERR, e.what()); } diff --git a/src/MANYBODY/pair_eam.cpp b/src/MANYBODY/pair_eam.cpp index ac96c040bb..9325716110 100644 --- a/src/MANYBODY/pair_eam.cpp +++ b/src/MANYBODY/pair_eam.cpp @@ -506,7 +506,7 @@ void PairEAM::read_file(char *filename) for (int j = 1; j <= file->nr; ++j) file->zr[j] *= sqrt_conv; } - } catch (TokenizerException & e) { + } catch (TokenizerException &e) { error->one(FLERR, e.what()); } } diff --git a/src/MANYBODY/pair_eam_alloy.cpp b/src/MANYBODY/pair_eam_alloy.cpp index f17d500a40..5307edee1a 100644 --- a/src/MANYBODY/pair_eam_alloy.cpp +++ b/src/MANYBODY/pair_eam_alloy.cpp @@ -184,7 +184,7 @@ void PairEAMAlloy::read_file(char *filename) } } } - } catch (TokenizerException & e) { + } catch (TokenizerException &e) { error->one(FLERR, e.what()); } } diff --git a/src/MANYBODY/pair_eam_fs.cpp b/src/MANYBODY/pair_eam_fs.cpp index 1c055e1bcf..6c721c81f8 100644 --- a/src/MANYBODY/pair_eam_fs.cpp +++ b/src/MANYBODY/pair_eam_fs.cpp @@ -189,7 +189,7 @@ void PairEAMFS::read_file(char *filename) } } } - } catch (TokenizerException & e) { + } catch (TokenizerException &e) { error->one(FLERR, e.what()); } } diff --git a/src/MANYBODY/pair_eim.cpp b/src/MANYBODY/pair_eim.cpp index 8f229060cf..620fa88d32 100644 --- a/src/MANYBODY/pair_eim.cpp +++ b/src/MANYBODY/pair_eim.cpp @@ -1071,7 +1071,7 @@ EIMPotentialFileReader::EIMPotentialFileReader(LAMMPS *lmp, fclose(fp); } -std::pair EIMPotentialFileReader::get_pair(const std::string & a, const std::string & b) { +std::pair EIMPotentialFileReader::get_pair(const std::string &a, const std::string &b) { if (a < b) { return std::make_pair(a, b); } diff --git a/src/MANYBODY/pair_gw.cpp b/src/MANYBODY/pair_gw.cpp index 6a97975d45..4b5901fd81 100644 --- a/src/MANYBODY/pair_gw.cpp +++ b/src/MANYBODY/pair_gw.cpp @@ -443,7 +443,7 @@ void PairGW::read_file(char *file) params[nparams].biga *= conversion_factor; params[nparams].bigb *= conversion_factor; } - } catch (TokenizerException & e) { + } catch (TokenizerException &e) { error->one(FLERR, e.what()); } diff --git a/src/MANYBODY/pair_gw_zbl.cpp b/src/MANYBODY/pair_gw_zbl.cpp index 69c677d0cf..a66c9bb795 100644 --- a/src/MANYBODY/pair_gw_zbl.cpp +++ b/src/MANYBODY/pair_gw_zbl.cpp @@ -138,7 +138,7 @@ void PairGWZBL::read_file(char *file) params[nparams].biga *= conversion_factor; params[nparams].bigb *= conversion_factor; } - } catch (TokenizerException & e) { + } catch (TokenizerException &e) { error->one(FLERR, e.what()); } diff --git a/src/MANYBODY/pair_nb3b_harmonic.cpp b/src/MANYBODY/pair_nb3b_harmonic.cpp index 859652dd10..6151c8ce22 100644 --- a/src/MANYBODY/pair_nb3b_harmonic.cpp +++ b/src/MANYBODY/pair_nb3b_harmonic.cpp @@ -344,7 +344,7 @@ void PairNb3bHarmonic::read_file(char *file) params[nparams].cutoff = values.next_double(); if (unit_convert) params[nparams].k_theta *= conversion_factor; - } catch (TokenizerException & e) { + } catch (TokenizerException &e) { error->one(FLERR, e.what()); } diff --git a/src/MANYBODY/pair_polymorphic.cpp b/src/MANYBODY/pair_polymorphic.cpp index 99eb2fec55..5520cad274 100644 --- a/src/MANYBODY/pair_polymorphic.cpp +++ b/src/MANYBODY/pair_polymorphic.cpp @@ -612,7 +612,7 @@ void PairPolymorphic::read_file(char *file) if ((ng == 0) || (nr == 0) || (nx == 0)) error->one(FLERR,"Error reading potential file header"); - } catch (TokenizerException & e) { + } catch (TokenizerException &e) { error->one(FLERR,"Potential file incompatible with this pair style version"); } @@ -631,7 +631,7 @@ void PairPolymorphic::read_file(char *file) p.cutsq = p.cut*p.cut; p.xi = values.next_double(); } - } catch (TokenizerException & e) { + } catch (TokenizerException &e) { error->one(FLERR, e.what()); } } diff --git a/src/MANYBODY/pair_sw.cpp b/src/MANYBODY/pair_sw.cpp index b74eda0f85..aff333902f 100644 --- a/src/MANYBODY/pair_sw.cpp +++ b/src/MANYBODY/pair_sw.cpp @@ -414,7 +414,7 @@ void PairSW::read_file(char *file) params[nparams].powerp = values.next_double(); params[nparams].powerq = values.next_double(); params[nparams].tol = values.next_double(); - } catch (TokenizerException & e) { + } catch (TokenizerException &e) { error->one(FLERR, e.what()); } diff --git a/src/MANYBODY/pair_tersoff.cpp b/src/MANYBODY/pair_tersoff.cpp index b8379d15cc..d6d5307ef7 100644 --- a/src/MANYBODY/pair_tersoff.cpp +++ b/src/MANYBODY/pair_tersoff.cpp @@ -466,7 +466,7 @@ void PairTersoff::read_file(char *file) params[nparams].biga *= conversion_factor; params[nparams].bigb *= conversion_factor; } - } catch (TokenizerException & e) { + } catch (TokenizerException &e) { error->one(FLERR, e.what()); } diff --git a/src/MANYBODY/pair_tersoff_mod.cpp b/src/MANYBODY/pair_tersoff_mod.cpp index ea40125ce4..b319977a09 100644 --- a/src/MANYBODY/pair_tersoff_mod.cpp +++ b/src/MANYBODY/pair_tersoff_mod.cpp @@ -121,7 +121,7 @@ void PairTersoffMOD::read_file(char *file) params[nparams].biga *= conversion_factor; params[nparams].bigb *= conversion_factor; } - } catch (TokenizerException & e) { + } catch (TokenizerException &e) { error->one(FLERR, e.what()); } diff --git a/src/MANYBODY/pair_tersoff_mod_c.cpp b/src/MANYBODY/pair_tersoff_mod_c.cpp index 6a6497afae..8fac2ff162 100644 --- a/src/MANYBODY/pair_tersoff_mod_c.cpp +++ b/src/MANYBODY/pair_tersoff_mod_c.cpp @@ -114,7 +114,7 @@ void PairTersoffMODC::read_file(char *file) params[nparams].bigb *= conversion_factor; params[nparams].c0 *= conversion_factor; } - } catch (TokenizerException & e) { + } catch (TokenizerException &e) { error->one(FLERR, e.what()); } diff --git a/src/MANYBODY/pair_tersoff_zbl.cpp b/src/MANYBODY/pair_tersoff_zbl.cpp index fad89195b2..ef6b1079ff 100644 --- a/src/MANYBODY/pair_tersoff_zbl.cpp +++ b/src/MANYBODY/pair_tersoff_zbl.cpp @@ -140,7 +140,7 @@ void PairTersoffZBL::read_file(char *file) params[nparams].biga *= conversion_factor; params[nparams].bigb *= conversion_factor; } - } catch (TokenizerException & e) { + } catch (TokenizerException &e) { error->one(FLERR, e.what()); } diff --git a/src/MANYBODY/pair_vashishta.cpp b/src/MANYBODY/pair_vashishta.cpp index 10ac2c418f..61828949c7 100644 --- a/src/MANYBODY/pair_vashishta.cpp +++ b/src/MANYBODY/pair_vashishta.cpp @@ -432,7 +432,7 @@ void PairVashishta::read_file(char *file) params[nparams].bigb *= conversion_factor; } - } catch (TokenizerException & e) { + } catch (TokenizerException &e) { error->one(FLERR, e.what()); } diff --git a/src/MOLECULE/angle_table.cpp b/src/MOLECULE/angle_table.cpp index 6e47bf7877..3fbda1cb99 100644 --- a/src/MOLECULE/angle_table.cpp +++ b/src/MOLECULE/angle_table.cpp @@ -411,7 +411,7 @@ void AngleTable::read_table(Table *tb, char *file, char *keyword) tb->afile[i] = values.next_double(); tb->efile[i] = values.next_double(); tb->ffile[i] = values.next_double(); - } catch (TokenizerException & e) { + } catch (TokenizerException &e) { ++cerror; } } @@ -526,7 +526,7 @@ void AngleTable::param_extract(Table *tb, char *line) error->one(FLERR,"Invalid keyword in angle table parameters"); } } - } catch(TokenizerException & e) { + } catch(TokenizerException &e) { error->one(FLERR, e.what()); } diff --git a/src/MOLECULE/bond_table.cpp b/src/MOLECULE/bond_table.cpp index a7fbbb84d7..32bc6432b3 100644 --- a/src/MOLECULE/bond_table.cpp +++ b/src/MOLECULE/bond_table.cpp @@ -341,7 +341,7 @@ void BondTable::read_table(Table *tb, char *file, char *keyword) tb->rfile[i] = values.next_double(); tb->efile[i] = values.next_double(); tb->ffile[i] = values.next_double(); - } catch (TokenizerException & e) { + } catch (TokenizerException &e) { ++cerror; } @@ -491,7 +491,7 @@ void BondTable::param_extract(Table *tb, char *line) error->one(FLERR,"Invalid keyword in bond table parameters"); } } - } catch(TokenizerException & e) { + } catch(TokenizerException &e) { error->one(FLERR, e.what()); } diff --git a/src/USER-INTEL/pair_eam_alloy_intel.cpp b/src/USER-INTEL/pair_eam_alloy_intel.cpp index b78baf896f..e208212d79 100644 --- a/src/USER-INTEL/pair_eam_alloy_intel.cpp +++ b/src/USER-INTEL/pair_eam_alloy_intel.cpp @@ -183,7 +183,7 @@ void PairEAMAlloyIntel::read_file(char *filename) } } } - } catch (TokenizerException & e) { + } catch (TokenizerException &e) { error->one(FLERR, e.what()); } } diff --git a/src/USER-INTEL/pair_eam_fs_intel.cpp b/src/USER-INTEL/pair_eam_fs_intel.cpp index 84cfcb8a11..6e17d3d552 100644 --- a/src/USER-INTEL/pair_eam_fs_intel.cpp +++ b/src/USER-INTEL/pair_eam_fs_intel.cpp @@ -186,7 +186,7 @@ void PairEAMFSIntel::read_file(char *filename) } } } - } catch (TokenizerException & e) { + } catch (TokenizerException &e) { error->one(FLERR, e.what()); } } diff --git a/src/USER-MISC/dihedral_table.cpp b/src/USER-MISC/dihedral_table.cpp index d09684df98..2b9e829a83 100644 --- a/src/USER-MISC/dihedral_table.cpp +++ b/src/USER-MISC/dihedral_table.cpp @@ -1091,7 +1091,7 @@ void DihedralTable::read_table(Table *tb, char *file, char *keyword) tb->efile[i] = values.next_double(); tb->ffile[i] = values.next_double(); } - } catch (TokenizerException & e) { + } catch (TokenizerException &e) { error->one(FLERR, e.what()); } } //for (int i = 0; (i < tb->ninput) && fp; i++) { @@ -1316,7 +1316,7 @@ void DihedralTable::param_extract(Table *tb, char *line) else error->one(FLERR,fmt::format("Invalid keyword in dihedral angle " "table parameters ({})", word)); } - } catch (TokenizerException & e) { + } catch (TokenizerException &e) { error->one(FLERR, e.what()); } diff --git a/src/USER-MISC/pair_tersoff_table.cpp b/src/USER-MISC/pair_tersoff_table.cpp index bc6be2d399..b823a17ca0 100644 --- a/src/USER-MISC/pair_tersoff_table.cpp +++ b/src/USER-MISC/pair_tersoff_table.cpp @@ -923,7 +923,7 @@ void PairTersoffTable::read_file(char *file) params[nparams].biga *= conversion_factor; params[nparams].bigb *= conversion_factor; } - } catch (TokenizerException & e) { + } catch (TokenizerException &e) { error->one(FLERR, e.what()); } diff --git a/src/USER-OMP/pair_eam_alloy_omp.cpp b/src/USER-OMP/pair_eam_alloy_omp.cpp index 2f29aced65..b761fc8b8e 100644 --- a/src/USER-OMP/pair_eam_alloy_omp.cpp +++ b/src/USER-OMP/pair_eam_alloy_omp.cpp @@ -184,7 +184,7 @@ void PairEAMAlloyOMP::read_file(char *filename) } } } - } catch (TokenizerException & e) { + } catch (TokenizerException &e) { error->one(FLERR, e.what()); } } diff --git a/src/USER-OMP/pair_eam_fs_omp.cpp b/src/USER-OMP/pair_eam_fs_omp.cpp index a7fd0cac51..2aba40ba73 100644 --- a/src/USER-OMP/pair_eam_fs_omp.cpp +++ b/src/USER-OMP/pair_eam_fs_omp.cpp @@ -187,7 +187,7 @@ void PairEAMFSOMP::read_file(char *filename) } } } - } catch (TokenizerException & e) { + } catch (TokenizerException &e) { error->one(FLERR, e.what()); } } diff --git a/src/USER-OMP/pair_tersoff_zbl_omp.cpp b/src/USER-OMP/pair_tersoff_zbl_omp.cpp index 7bb3814549..2fb8360197 100644 --- a/src/USER-OMP/pair_tersoff_zbl_omp.cpp +++ b/src/USER-OMP/pair_tersoff_zbl_omp.cpp @@ -157,7 +157,7 @@ void PairTersoffZBLOMP::read_file(char *file) params[nparams].biga *= conversion_factor; params[nparams].bigb *= conversion_factor; } - } catch (TokenizerException & e) { + } catch (TokenizerException &e) { error->one(FLERR, e.what()); } diff --git a/src/file_writer.h b/src/file_writer.h index 766ccc85e7..8597ab570d 100644 --- a/src/file_writer.h +++ b/src/file_writer.h @@ -27,7 +27,7 @@ class FileWriter { public: FileWriter() = default; virtual ~FileWriter() = default; - virtual void open(const std::string & path) = 0; + virtual void open(const std::string &path) = 0; virtual void close() = 0; virtual void flush() = 0; virtual size_t write(const void * buffer, size_t length) = 0; @@ -37,7 +37,7 @@ public: class FileWriterException : public std::exception { std::string message; public: - FileWriterException(const std::string & msg) : message(msg) { + FileWriterException(const std::string &msg) : message(msg) { } ~FileWriterException() throw() { diff --git a/src/info.h b/src/info.h index ae61600b68..e14a2be8db 100644 --- a/src/info.h +++ b/src/info.h @@ -35,8 +35,8 @@ class Info : protected Pointers { bool is_defined(const char *, const char *); bool is_available(const char *, const char *); - bool has_style(const std::string & category, const std::string & name); - std::vector get_available_styles(const std::string & category); + bool has_style(const std::string &category, const std::string &name); + std::vector get_available_styles(const std::string &category); static bool has_gzip_support(); static bool has_png_support(); diff --git a/src/library.cpp b/src/library.cpp index e708d5140c..da9ece326e 100644 --- a/src/library.cpp +++ b/src/library.cpp @@ -84,7 +84,7 @@ static void ptr_argument_warning() try #define END_CAPTURE \ - catch(LAMMPSAbortException & ae) { \ + catch(LAMMPSAbortException &ae) { \ int nprocs = 0; \ MPI_Comm_size(ae.universe, &nprocs ); \ \ @@ -93,7 +93,7 @@ static void ptr_argument_warning() } else { \ error->set_last_error(ae.message, ERROR_NORMAL); \ } \ - } catch(LAMMPSException & e) { \ + } catch(LAMMPSException &e) { \ error->set_last_error(e.message, ERROR_NORMAL); \ } #else @@ -166,7 +166,7 @@ void *lammps_open(int argc, char **argv, MPI_Comm comm, void **ptr) lmp = new LAMMPS(argc, argv, comm); if (ptr) *ptr = (void *) lmp; } - catch(LAMMPSException & e) { + catch(LAMMPSException &e) { fmt::print(stderr, "LAMMPS Exception: {}", e.message); *ptr = nullptr; } diff --git a/src/molecule.cpp b/src/molecule.cpp index f120a964e3..b505130a22 100644 --- a/src/molecule.cpp +++ b/src/molecule.cpp @@ -492,7 +492,7 @@ void Molecule::read(int flag) if (nmatch != nwant) error->one(FLERR,"Invalid header in molecule file"); - } catch (TokenizerException & e) { + } catch (TokenizerException &e) { error->one(FLERR, fmt::format("Invalid header in molecule file\n" "{}", e.what())); } @@ -688,7 +688,7 @@ void Molecule::coords(char *line) x[i][1] *= sizescale; x[i][2] *= sizescale; } - } catch (TokenizerException & e) { + } catch (TokenizerException &e) { error->one(FLERR, fmt::format("Invalid Coords section in molecule file\n" "{}", e.what())); } @@ -718,7 +718,7 @@ void Molecule::types(char *line) type[i] = values.next_int(); type[i] += toffset; } - } catch (TokenizerException & e) { + } catch (TokenizerException &e) { error->one(FLERR, fmt::format("Invalid Types section in molecule file\n" "{}", e.what())); } @@ -748,7 +748,7 @@ void Molecule::molecules(char *line) molecule[i] = values.next_int(); // molecule[i] += moffset; // placeholder for possible molecule offset } - } catch (TokenizerException & e) { + } catch (TokenizerException &e) { error->one(FLERR, fmt::format("Invalid Molecules section in molecule file\n" "{}", e.what())); } @@ -785,7 +785,7 @@ void Molecule::fragments(char *line) fragmentmask[i][atomID-1] = 1; } } - } catch (TokenizerException & e) { + } catch (TokenizerException &e) { error->one(FLERR, fmt::format("Invalid atom ID in Fragments section of molecule file\n" "{}", e.what())); } @@ -807,7 +807,7 @@ void Molecule::charges(char *line) values.next_int(); q[i] = values.next_double(); } - } catch (TokenizerException & e) { + } catch (TokenizerException &e) { error->one(FLERR, fmt::format("Invalid Charges section in molecule file\n" "{}", e.what())); } @@ -833,7 +833,7 @@ void Molecule::diameters(char *line) radius[i] *= 0.5; maxradius = MAX(maxradius,radius[i]); } - } catch (TokenizerException & e) { + } catch (TokenizerException &e) { error->one(FLERR, fmt::format("Invalid Diameters section in molecule file\n" "{}", e.what())); } @@ -860,7 +860,7 @@ void Molecule::masses(char *line) rmass[i] = values.next_double(); rmass[i] *= sizescale*sizescale*sizescale; } - } catch (TokenizerException & e) { + } catch (TokenizerException &e) { error->one(FLERR, fmt::format("Invalid Masses section in molecule file\n" "{}", e.what())); } @@ -898,7 +898,7 @@ void Molecule::bonds(int flag, char *line) itype = values.next_int(); atom1 = values.next_tagint(); atom2 = values.next_tagint(); - } catch (TokenizerException & e) { + } catch (TokenizerException &e) { error->one(FLERR, fmt::format("Invalid Bonds section in molecule file\n" "{}", e.what())); } @@ -967,7 +967,7 @@ void Molecule::angles(int flag, char *line) atom1 = values.next_tagint(); atom2 = values.next_tagint(); atom3 = values.next_tagint(); - } catch (TokenizerException & e) { + } catch (TokenizerException &e) { error->one(FLERR, fmt::format("Invalid Angles section in molecule file\n" "{}", e.what())); } @@ -1052,7 +1052,7 @@ void Molecule::dihedrals(int flag, char *line) atom2 = values.next_tagint(); atom3 = values.next_tagint(); atom4 = values.next_tagint(); - } catch (TokenizerException & e) { + } catch (TokenizerException &e) { error->one(FLERR, fmt::format("Invalid Dihedrals section in molecule file\n" "{}", e.what())); } @@ -1152,7 +1152,7 @@ void Molecule::impropers(int flag, char *line) atom2 = values.next_tagint(); atom3 = values.next_tagint(); atom4 = values.next_tagint(); - } catch (TokenizerException & e) { + } catch (TokenizerException &e) { error->one(FLERR, fmt::format("Invalid Impropers section in molecule file\n" "{}", e.what())); } @@ -1244,7 +1244,7 @@ void Molecule::nspecial_read(int flag, char *line) c1 = values.next_tagint(); c2 = values.next_tagint(); c3 = values.next_tagint(); - } catch (TokenizerException & e) { + } catch (TokenizerException &e) { error->one(FLERR, fmt::format("Invalid Special Bond Counts section in molecule file\n" "{}", e.what())); } @@ -1283,7 +1283,7 @@ void Molecule::special_read(char *line) error->one(FLERR,"Invalid special atom index in molecule file"); } } - } catch (TokenizerException & e) { + } catch (TokenizerException &e) { error->one(FLERR, fmt::format("Invalid Molecule file special list\n" "{}", e.what())); } @@ -1415,7 +1415,7 @@ void Molecule::shakeflag_read(char *line) values.next_int(); shake_flag[i] = values.next_int(); } - } catch (TokenizerException & e) { + } catch (TokenizerException &e) { error->one(FLERR, fmt::format("Invalid Shake Flags section in molecule file\n" "{}", e.what())); } @@ -1480,7 +1480,7 @@ void Molecule::shakeatom_read(char *line) error->one(FLERR,"Invalid shake atom in molecule file"); } - } catch (TokenizerException & e) { + } catch (TokenizerException &e) { error->one(FLERR,fmt::format("Invalid shake atom in molecule file\n" "{}", e.what())); } @@ -1545,7 +1545,7 @@ void Molecule::shaketype_read(char *line) if (nmatch != nwant) error->one(FLERR,"Invalid shake type data in molecule file"); } - } catch (TokenizerException & e) { + } catch (TokenizerException &e) { error->one(FLERR, fmt::format("Invalid shake type data in molecule file\n", "{}", e.what())); } @@ -1598,7 +1598,7 @@ void Molecule::body(int flag, int pflag, char *line) } } else nword += ncount; } - } catch (TokenizerException & e) { + } catch (TokenizerException &e) { error->one(FLERR, fmt::format("Invalid body params in molecule file\n", "{}", e.what())); } diff --git a/src/pair_coul_streitz.cpp b/src/pair_coul_streitz.cpp index 101aaf36a3..6fb7d63a86 100644 --- a/src/pair_coul_streitz.cpp +++ b/src/pair_coul_streitz.cpp @@ -280,7 +280,7 @@ void PairCoulStreitz::read_file(char *file) params[nparams].zeta = values.next_double(); params[nparams].zcore = values.next_double(); - } catch (TokenizerException & e) { + } catch (TokenizerException &e) { error->one(FLERR, e.what()); } diff --git a/src/pair_table.cpp b/src/pair_table.cpp index a92d2e4911..f7933f5d9a 100644 --- a/src/pair_table.cpp +++ b/src/pair_table.cpp @@ -402,7 +402,7 @@ void PairTable::read_table(Table *tb, char *file, char *keyword) rfile = values.next_double(); tb->efile[i] = conversion_factor * values.next_double(); tb->ffile[i] = conversion_factor * values.next_double(); - } catch (TokenizerException & e) { + } catch (TokenizerException &e) { ++cerror; } @@ -571,7 +571,7 @@ void PairTable::param_extract(Table *tb, char *line) error->one(FLERR,fmt::format("Invalid keyword {} in pair table parameters", word).c_str()); } } - } catch (TokenizerException & e) { + } catch (TokenizerException &e) { error->one(FLERR, e.what()); } diff --git a/src/potential_file_reader.cpp b/src/potential_file_reader.cpp index 639345ed25..6b41a35f0a 100644 --- a/src/potential_file_reader.cpp +++ b/src/potential_file_reader.cpp @@ -61,7 +61,7 @@ PotentialFileReader::PotentialFileReader(LAMMPS *lmp, if(!reader) { error->one(FLERR, fmt::format("cannot open {} potential file {}", potential_name, filename)); } - } catch (FileReaderException & e) { + } catch (FileReaderException &e) { error->one(FLERR, e.what()); } } @@ -84,7 +84,7 @@ void PotentialFileReader::ignore_comments(bool value) { void PotentialFileReader::skip_line() { try { reader->skip_line(); - } catch (FileReaderException & e) { + } catch (FileReaderException &e) { error->one(FLERR, e.what()); } } @@ -103,7 +103,7 @@ void PotentialFileReader::skip_line() { char *PotentialFileReader::next_line(int nparams) { try { return reader->next_line(nparams); - } catch (FileReaderException & e) { + } catch (FileReaderException &e) { error->one(FLERR, e.what()); } return nullptr; @@ -121,7 +121,7 @@ char *PotentialFileReader::next_line(int nparams) { void PotentialFileReader::next_dvector(double * list, int n) { try { return reader->next_dvector(list, n); - } catch (FileReaderException & e) { + } catch (FileReaderException &e) { error->one(FLERR, e.what()); } } @@ -136,10 +136,10 @@ void PotentialFileReader::next_dvector(double * list, int n) { * \param separators String with list of separators. * \return ValueTokenizer object for read in text */ -ValueTokenizer PotentialFileReader::next_values(int nparams, const std::string & separators) { +ValueTokenizer PotentialFileReader::next_values(int nparams, const std::string &separators) { try { return reader->next_values(nparams, separators); - } catch (FileReaderException & e) { + } catch (FileReaderException &e) { error->one(FLERR, e.what()); } return ValueTokenizer(""); @@ -153,7 +153,7 @@ double PotentialFileReader::next_double() { try { char * line = reader->next_line(1); return ValueTokenizer(line).next_double(); - } catch (FileReaderException & e) { + } catch (FileReaderException &e) { error->one(FLERR, e.what()); } return 0.0; @@ -167,7 +167,7 @@ int PotentialFileReader::next_int() { try { char * line = reader->next_line(1); return ValueTokenizer(line).next_int(); - } catch (FileReaderException & e) { + } catch (FileReaderException &e) { error->one(FLERR, e.what()); } return 0; @@ -181,7 +181,7 @@ tagint PotentialFileReader::next_tagint() { try { char * line = reader->next_line(1); return ValueTokenizer(line).next_tagint(); - } catch (FileReaderException & e) { + } catch (FileReaderException &e) { error->one(FLERR, e.what()); } return 0; @@ -195,7 +195,7 @@ bigint PotentialFileReader::next_bigint() { try { char * line = reader->next_line(1); return ValueTokenizer(line).next_bigint(); - } catch (FileReaderException & e) { + } catch (FileReaderException &e) { error->one(FLERR, e.what()); } return 0; @@ -209,7 +209,7 @@ std::string PotentialFileReader::next_string() { try { char * line = reader->next_line(1); return ValueTokenizer(line).next_string(); - } catch (FileReaderException & e) { + } catch (FileReaderException &e) { error->one(FLERR, e.what()); } return ""; diff --git a/src/reader_native.cpp b/src/reader_native.cpp index 11241047a1..93a62e6cbf 100644 --- a/src/reader_native.cpp +++ b/src/reader_native.cpp @@ -334,7 +334,7 @@ void ReaderNative::read_atoms(int n, int nfield, double **fields) return index of match or -1 if no match ------------------------------------------------------------------------- */ -int ReaderNative::find_label(const std::string & label, const std::map & labels) +int ReaderNative::find_label(const std::string &label, const std::map & labels) { auto it = labels.find(label); if (it != labels.end()) { diff --git a/src/reader_native.h b/src/reader_native.h index d1c8433016..f34bd094ab 100644 --- a/src/reader_native.h +++ b/src/reader_native.h @@ -45,7 +45,7 @@ private: int nwords; // # of per-atom columns in dump file int *fieldindex; // - int find_label(const std::string & label, const std::map & labels); + int find_label(const std::string &label, const std::map & labels); void read_lines(int); }; diff --git a/src/table_file_reader.cpp b/src/table_file_reader.cpp index 50843c119e..9006b44af9 100644 --- a/src/table_file_reader.cpp +++ b/src/table_file_reader.cpp @@ -33,7 +33,7 @@ TableFileReader::TableFileReader(LAMMPS *lmp, TableFileReader::~TableFileReader() { } -char *TableFileReader::find_section_start(const std::string & keyword) { +char *TableFileReader::find_section_start(const std::string &keyword) { char *line = nullptr; while ((line = reader->next_line())) { ValueTokenizer values(line); diff --git a/src/text_file_reader.cpp b/src/text_file_reader.cpp index cd56cbb7ad..a1892edfad 100644 --- a/src/text_file_reader.cpp +++ b/src/text_file_reader.cpp @@ -164,6 +164,6 @@ void TextFileReader::next_dvector(double * list, int n) { * \param separators String with list of separators. * \return ValueTokenizer object for read in text */ -ValueTokenizer TextFileReader::next_values(int nparams, const std::string & separators) { +ValueTokenizer TextFileReader::next_values(int nparams, const std::string &separators) { return ValueTokenizer(next_line(nparams), separators); } diff --git a/src/text_file_reader.h b/src/text_file_reader.h index 65af0a08d9..0b90304911 100644 --- a/src/text_file_reader.h +++ b/src/text_file_reader.h @@ -41,13 +41,13 @@ namespace LAMMPS_NS char * next_line(int nparams = 0); void next_dvector(double * list, int n); - ValueTokenizer next_values(int nparams, const std::string & separators = TOKENIZER_DEFAULT_SEPARATORS); + ValueTokenizer next_values(int nparams, const std::string &separators = TOKENIZER_DEFAULT_SEPARATORS); }; class FileReaderException : public std::exception { std::string message; public: - FileReaderException(const std::string & msg) : message(msg) { + FileReaderException(const std::string &msg) : message(msg) { } ~FileReaderException() throw() { @@ -60,7 +60,7 @@ namespace LAMMPS_NS class EOFException : public FileReaderException { public: - EOFException(const std::string & msg) : FileReaderException(msg) { + EOFException(const std::string &msg) : FileReaderException(msg) { } }; diff --git a/src/tokenizer.cpp b/src/tokenizer.cpp index 3b21f912fa..725f6f1b61 100644 --- a/src/tokenizer.cpp +++ b/src/tokenizer.cpp @@ -24,7 +24,7 @@ using namespace LAMMPS_NS; -TokenizerException::TokenizerException(const std::string & msg, const std::string & token){ +TokenizerException::TokenizerException(const std::string &msg, const std::string &token){ if(token.empty()) { message = msg; } else { @@ -47,13 +47,13 @@ TokenizerException::TokenizerException(const std::string & msg, const std::strin * \param str string to be processed * \param separators string with separator characters (default: " \t\r\n\f") */ -Tokenizer::Tokenizer(const std::string & str, const std::string & separators) : +Tokenizer::Tokenizer(const std::string &str, const std::string &separators) : text(str), separators(separators), start(0), ntokens(std::string::npos) { reset(); } -Tokenizer::Tokenizer(const Tokenizer & rhs) : +Tokenizer::Tokenizer(const Tokenizer &rhs) : text(rhs.text), separators(rhs.separators), ntokens(rhs.ntokens) { reset(); @@ -75,7 +75,7 @@ void Tokenizer::reset() { * * \param str string to be searched for * \return true if string was found, false if not */ -bool Tokenizer::contains(const std::string & str) const { +bool Tokenizer::contains(const std::string &str) const { return text.find(str) != std::string::npos; } @@ -169,13 +169,13 @@ std::vector Tokenizer::as_vector() { * * \see Tokenizer InvalidIntegerException InvalidFloatException */ -ValueTokenizer::ValueTokenizer(const std::string & str, const std::string & separators) : tokens(str, separators) { +ValueTokenizer::ValueTokenizer(const std::string &str, const std::string &separators) : tokens(str, separators) { } -ValueTokenizer::ValueTokenizer(const ValueTokenizer & rhs) : tokens(rhs.tokens) { +ValueTokenizer::ValueTokenizer(const ValueTokenizer &rhs) : tokens(rhs.tokens) { } -ValueTokenizer::ValueTokenizer(ValueTokenizer && rhs) : tokens(std::move(rhs.tokens)) { +ValueTokenizer::ValueTokenizer(ValueTokenizer &&rhs) : tokens(std::move(rhs.tokens)) { } /*! Indicate whether more tokens are available @@ -189,7 +189,7 @@ bool ValueTokenizer::has_next() const { * * \param value string with value to be searched for * \return true if string was found, false if not */ -bool ValueTokenizer::contains(const std::string & value) const { +bool ValueTokenizer::contains(const std::string &value) const { return tokens.contains(value); }