diff --git a/src/GPU/pair_eam_alloy_gpu.cpp b/src/GPU/pair_eam_alloy_gpu.cpp index fcbc3c5d3c..250c25eef1 100644 --- a/src/GPU/pair_eam_alloy_gpu.cpp +++ b/src/GPU/pair_eam_alloy_gpu.cpp @@ -374,15 +374,12 @@ void PairEAMAlloyGPU::read_file(char *filename) PotentialFileReader reader(lmp, filename, "EAM"); try { - char * line = nullptr; - reader.skip_line(); reader.skip_line(); reader.skip_line(); // extract element names from nelements line - line = reader.next_line(1); - ValueTokenizer values(line); + ValueTokenizer values = reader.next_values(1); file->nelements = values.next_int(); if (values.count() != file->nelements + 1) @@ -398,8 +395,7 @@ void PairEAMAlloyGPU::read_file(char *filename) // - line = reader.next_line(5); - values = ValueTokenizer(line); + values = reader.next_values(5); file->nrho = values.next_int(); file->drho = values.next_double(); file->nr = values.next_int(); @@ -415,8 +411,7 @@ void PairEAMAlloyGPU::read_file(char *filename) memory->create(file->z2r, file->nelements, file->nelements, file->nr + 1, "pair:z2r"); for (int i = 0; i < file->nelements; i++) { - line = reader.next_line(2); - values = ValueTokenizer(line); + values = reader.next_values(2); values.next_int(); // ignore file->mass[i] = values.next_double(); diff --git a/src/GPU/pair_eam_fs_gpu.cpp b/src/GPU/pair_eam_fs_gpu.cpp index e674594498..687dec9ad1 100644 --- a/src/GPU/pair_eam_fs_gpu.cpp +++ b/src/GPU/pair_eam_fs_gpu.cpp @@ -374,15 +374,12 @@ void PairEAMFSGPU::read_file(char *filename) PotentialFileReader reader(lmp, filename, "EAM"); try { - char * line = nullptr; - reader.skip_line(); reader.skip_line(); reader.skip_line(); // extract element names from nelements line - line = reader.next_line(1); - ValueTokenizer values(line); + ValueTokenizer values = reader.next_values(1); file->nelements = values.next_int(); if (values.count() != file->nelements + 1) @@ -398,8 +395,7 @@ void PairEAMFSGPU::read_file(char *filename) // - line = reader.next_line(5); - values = ValueTokenizer(line); + values = reader.next_values(5); file->nrho = values.next_int(); file->drho = values.next_double(); file->nr = values.next_int(); @@ -415,8 +411,7 @@ void PairEAMFSGPU::read_file(char *filename) memory->create(file->z2r, file->nelements, file->nelements, file->nr + 1, "pair:z2r"); for (int i = 0; i < file->nelements; i++) { - line = reader.next_line(2); - values = ValueTokenizer(line); + values = reader.next_values(2); values.next_int(); // ignore file->mass[i] = values.next_double(); diff --git a/src/KOKKOS/pair_eam_alloy_kokkos.cpp b/src/KOKKOS/pair_eam_alloy_kokkos.cpp index 7f598f966d..b1da9fb92d 100644 --- a/src/KOKKOS/pair_eam_alloy_kokkos.cpp +++ b/src/KOKKOS/pair_eam_alloy_kokkos.cpp @@ -988,15 +988,12 @@ void PairEAMAlloyKokkos::read_file(char *filename) PotentialFileReader reader(lmp, filename, "EAM"); try { - char * line = nullptr; - reader.skip_line(); reader.skip_line(); reader.skip_line(); // extract element names from nelements line - line = reader.next_line(1); - ValueTokenizer values(line); + ValueTokenizer values = reader.next_values(1); file->nelements = values.next_int(); if (values.count() != file->nelements + 1) @@ -1012,8 +1009,7 @@ void PairEAMAlloyKokkos::read_file(char *filename) // - line = reader.next_line(5); - values = ValueTokenizer(line); + values = reader.next_values(5); file->nrho = values.next_int(); file->drho = values.next_double(); file->nr = values.next_int(); @@ -1029,8 +1025,7 @@ void PairEAMAlloyKokkos::read_file(char *filename) memory->create(file->z2r, file->nelements, file->nelements, file->nr + 1, "pair:z2r"); for (int i = 0; i < file->nelements; i++) { - line = reader.next_line(2); - values = ValueTokenizer(line); + values = reader.next_values(2); values.next_int(); // ignore file->mass[i] = values.next_double(); diff --git a/src/KOKKOS/pair_eam_fs_kokkos.cpp b/src/KOKKOS/pair_eam_fs_kokkos.cpp index e532a4ec38..c36a28df64 100644 --- a/src/KOKKOS/pair_eam_fs_kokkos.cpp +++ b/src/KOKKOS/pair_eam_fs_kokkos.cpp @@ -988,15 +988,12 @@ void PairEAMFSKokkos::read_file(char *filename) PotentialFileReader reader(lmp, filename, "EAM"); try { - char * line = nullptr; - reader.skip_line(); reader.skip_line(); reader.skip_line(); // extract element names from nelements line - line = reader.next_line(1); - ValueTokenizer values(line); + ValueTokenizer values = reader.next_values(1); file->nelements = values.next_int(); if (values.count() != file->nelements + 1) @@ -1012,8 +1009,7 @@ void PairEAMFSKokkos::read_file(char *filename) // - line = reader.next_line(5); - values = ValueTokenizer(line); + values = reader.next_values(5); file->nrho = values.next_int(); file->drho = values.next_double(); file->nr = values.next_int(); @@ -1029,8 +1025,7 @@ void PairEAMFSKokkos::read_file(char *filename) memory->create(file->z2r, file->nelements, file->nelements, file->nr + 1, "pair:z2r"); for (int i = 0; i < file->nelements; i++) { - line = reader.next_line(2); - values = ValueTokenizer(line); + values = reader.next_values(2); values.next_int(); // ignore file->mass[i] = values.next_double(); diff --git a/src/MANYBODY/pair_adp.cpp b/src/MANYBODY/pair_adp.cpp index 2a64839e98..4978e6d960 100644 --- a/src/MANYBODY/pair_adp.cpp +++ b/src/MANYBODY/pair_adp.cpp @@ -546,15 +546,12 @@ void PairADP::read_file(char *filename) PotentialFileReader reader(lmp, filename, "ADP"); try { - char * line = nullptr; - reader.skip_line(); reader.skip_line(); reader.skip_line(); // extract element names from nelements line - line = reader.next_line(1); - ValueTokenizer values(line); + ValueTokenizer values = reader.next_values(1); file->nelements = values.next_int(); if (values.count() != file->nelements + 1) @@ -570,8 +567,7 @@ void PairADP::read_file(char *filename) // - line = reader.next_line(5); - values = ValueTokenizer(line); + values = reader.next_values(5); file->nrho = values.next_int(); file->drho = values.next_double(); file->nr = values.next_int(); @@ -589,8 +585,7 @@ void PairADP::read_file(char *filename) memory->create(file->w2r, file->nelements, file->nelements, file->nr + 1, "pair:w2r"); for (int i = 0; i < file->nelements; i++) { - line = reader.next_line(2); - values = ValueTokenizer(line); + values = reader.next_values(2); values.next_int(); // ignore file->mass[i] = values.next_double(); diff --git a/src/MANYBODY/pair_bop.cpp b/src/MANYBODY/pair_bop.cpp index c98e87600e..34433c749b 100644 --- a/src/MANYBODY/pair_bop.cpp +++ b/src/MANYBODY/pair_bop.cpp @@ -4932,13 +4932,11 @@ void _noopt PairBOP::read_table(char *filename) if (comm->me == 0) { try { PotentialFileReader reader(lmp, filename, "BOP"); - char * line = nullptr; bop_types = reader.next_int(); elements = new char*[bop_types]; for(int i=0; i < bop_types; i++) { - line = reader.next_line(3); - ValueTokenizer values(line); + ValueTokenizer values = reader.next_values(3); values.next_int(); values.next_double(); std::string name = values.next_string(); @@ -4947,8 +4945,7 @@ void _noopt PairBOP::read_table(char *filename) strcpy(elements[i], name.c_str()); } - line = reader.next_line(); - ValueTokenizer values(line); + ValueTokenizer values = reader.next_values(2); int format = values.count(); switch(format) { @@ -4978,8 +4975,7 @@ void _noopt PairBOP::read_table(char *filename) allocate_tables(); allocate(); - line = reader.next_line(7); - values = ValueTokenizer(line); + values = reader.next_values(7); small1 = values.next_double(); small2 = values.next_double(); @@ -5000,20 +4996,17 @@ void _noopt PairBOP::read_table(char *filename) if (rcut[i] > cutmax) cutmax = rcut[i]; - line = reader.next_line(4); - values = ValueTokenizer(line); + values = reader.next_values(4); sigma_c[i] = values.next_double(); sigma_a[i] = values.next_double(); pi_c[i] = values.next_double(); pi_a[i] = values.next_double(); - line = reader.next_line(2); - values = ValueTokenizer(line); + values = reader.next_values(2); sigma_delta[i] = values.next_double(); pi_delta[i] = values.next_double(); - line = reader.next_line(3); - values = ValueTokenizer(line); + values = reader.next_values(3); sigma_f[i] = values.next_double(); sigma_k[i] = values.next_double(); small3[i] = values.next_double(); diff --git a/src/MANYBODY/pair_comb.cpp b/src/MANYBODY/pair_comb.cpp index e2e5e3cefd..201b325bf3 100644 --- a/src/MANYBODY/pair_comb.cpp +++ b/src/MANYBODY/pair_comb.cpp @@ -594,7 +594,7 @@ void PairComb::read_file(char *file) while((line = reader.next_line(NPARAMS_PER_LINE))) { try { - ValueTokenizer values(line," \t\n\r\f"); + ValueTokenizer values(line); std::string iname = values.next_string(); std::string jname = values.next_string(); diff --git a/src/MANYBODY/pair_comb3.cpp b/src/MANYBODY/pair_comb3.cpp index 9c41f0e643..e96c1694d3 100644 --- a/src/MANYBODY/pair_comb3.cpp +++ b/src/MANYBODY/pair_comb3.cpp @@ -535,7 +535,7 @@ void PairComb3::read_file(char *file) while((line = reader.next_line(NPARAMS_PER_LINE))) { try { - ValueTokenizer values(line, " \t\n\r\f"); + ValueTokenizer values(line); std::string iname = values.next_string(); std::string jname = values.next_string(); diff --git a/src/MANYBODY/pair_eam.cpp b/src/MANYBODY/pair_eam.cpp index 0013a3271d..870482a52c 100644 --- a/src/MANYBODY/pair_eam.cpp +++ b/src/MANYBODY/pair_eam.cpp @@ -473,13 +473,11 @@ void PairEAM::read_file(char *filename) reader.skip_line(); - line = reader.next_line(2); - ValueTokenizer values(line); + ValueTokenizer values = reader.next_values(2); values.next_int(); // ignore file->mass = values.next_double(); - line = reader.next_line(5); - values = ValueTokenizer(line); + values = reader.next_values(5); file->nrho = values.next_int(); file->drho = values.next_double(); file->nr = values.next_int(); diff --git a/src/MANYBODY/pair_eam_alloy.cpp b/src/MANYBODY/pair_eam_alloy.cpp index 65ed9b7d2f..655522e750 100644 --- a/src/MANYBODY/pair_eam_alloy.cpp +++ b/src/MANYBODY/pair_eam_alloy.cpp @@ -122,15 +122,12 @@ void PairEAMAlloy::read_file(char *filename) PotentialFileReader reader(lmp, filename, "EAM"); try { - char * line = nullptr; - reader.skip_line(); reader.skip_line(); reader.skip_line(); // extract element names from nelements line - line = reader.next_line(1); - ValueTokenizer values(line); + ValueTokenizer values = reader.next_values(1); file->nelements = values.next_int(); if (values.count() != file->nelements + 1) @@ -146,8 +143,7 @@ void PairEAMAlloy::read_file(char *filename) // - line = reader.next_line(5); - values = ValueTokenizer(line); + values = reader.next_values(5); file->nrho = values.next_int(); file->drho = values.next_double(); file->nr = values.next_int(); @@ -163,8 +159,7 @@ void PairEAMAlloy::read_file(char *filename) memory->create(file->z2r, file->nelements, file->nelements, file->nr + 1, "pair:z2r"); for (int i = 0; i < file->nelements; i++) { - line = reader.next_line(2); - values = ValueTokenizer(line); + values = reader.next_values(2); values.next_int(); // ignore file->mass[i] = values.next_double(); diff --git a/src/MANYBODY/pair_eam_cd.cpp b/src/MANYBODY/pair_eam_cd.cpp index 099ffd77cd..076f6d5e7d 100644 --- a/src/MANYBODY/pair_eam_cd.cpp +++ b/src/MANYBODY/pair_eam_cd.cpp @@ -514,7 +514,7 @@ void PairEAMCD::read_h_coeff(char *filename) strcpy(line, nextline); } - ValueTokenizer values(line, " \t\n\r\f"); + ValueTokenizer values(line); int degree = values.next_int(); nhcoeff = degree+1; diff --git a/src/MANYBODY/pair_eam_fs.cpp b/src/MANYBODY/pair_eam_fs.cpp index fe4fa95268..9273ac99af 100644 --- a/src/MANYBODY/pair_eam_fs.cpp +++ b/src/MANYBODY/pair_eam_fs.cpp @@ -129,8 +129,7 @@ void PairEAMFS::read_file(char *filename) reader.skip_line(); // extract element names from nelements line - line = reader.next_line(1); - ValueTokenizer values(line); + ValueTokenizer values = reader.next_values(1); file->nelements = values.next_int(); if (values.count() != file->nelements + 1) @@ -146,8 +145,7 @@ void PairEAMFS::read_file(char *filename) // - line = reader.next_line(5); - values = ValueTokenizer(line); + values = reader.next_values(5); file->nrho = values.next_int(); file->drho = values.next_double(); file->nr = values.next_int(); @@ -163,8 +161,7 @@ void PairEAMFS::read_file(char *filename) memory->create(file->z2r, file->nelements, file->nelements, file->nr + 1, "pair:z2r"); for (int i = 0; i < file->nelements; i++) { - line = reader.next_line(2); - values = ValueTokenizer(line); + values = reader.next_values(2); values.next_int(); // ignore file->mass[i] = values.next_double(); diff --git a/src/MANYBODY/pair_eim.cpp b/src/MANYBODY/pair_eim.cpp index 6b668eeade..730c184a43 100644 --- a/src/MANYBODY/pair_eim.cpp +++ b/src/MANYBODY/pair_eim.cpp @@ -1141,7 +1141,7 @@ void EIMPotentialFileReader::parse(FILE * fp) bool found_global = false; while((line = next_line(fp))) { - ValueTokenizer values(line, " \t\r\n\f"); + ValueTokenizer values(line); std::string type = values.next_string(); if (type == "global:") { diff --git a/src/MANYBODY/pair_gw.cpp b/src/MANYBODY/pair_gw.cpp index ba6ceac3b2..e9604523b5 100644 --- a/src/MANYBODY/pair_gw.cpp +++ b/src/MANYBODY/pair_gw.cpp @@ -380,7 +380,7 @@ void PairGW::read_file(char *file) while((line = reader.next_line(NPARAMS_PER_LINE))) { try { - ValueTokenizer values(line, " \t\n\r\f"); + ValueTokenizer values(line); std::string iname = values.next_string(); std::string jname = values.next_string(); diff --git a/src/MANYBODY/pair_gw_zbl.cpp b/src/MANYBODY/pair_gw_zbl.cpp index f6eafb4fac..96fc742b42 100644 --- a/src/MANYBODY/pair_gw_zbl.cpp +++ b/src/MANYBODY/pair_gw_zbl.cpp @@ -75,7 +75,7 @@ void PairGWZBL::read_file(char *file) while((line = reader.next_line(NPARAMS_PER_LINE))) { try { - ValueTokenizer values(line, " \t\n\r\f"); + ValueTokenizer values(line); std::string iname = values.next_string(); std::string jname = values.next_string(); diff --git a/src/MANYBODY/pair_nb3b_harmonic.cpp b/src/MANYBODY/pair_nb3b_harmonic.cpp index a7be1ef2d4..7491c375db 100644 --- a/src/MANYBODY/pair_nb3b_harmonic.cpp +++ b/src/MANYBODY/pair_nb3b_harmonic.cpp @@ -296,7 +296,7 @@ void PairNb3bHarmonic::read_file(char *file) while((line = reader.next_line(NPARAMS_PER_LINE))) { try { - ValueTokenizer values(line, " \t\n\r\f"); + ValueTokenizer values(line); std::string iname = values.next_string(); std::string jname = values.next_string(); diff --git a/src/MANYBODY/pair_polymorphic.cpp b/src/MANYBODY/pair_polymorphic.cpp index 8a4a169e85..e90a73333b 100644 --- a/src/MANYBODY/pair_polymorphic.cpp +++ b/src/MANYBODY/pair_polymorphic.cpp @@ -571,8 +571,7 @@ void PairPolymorphic::read_file(char *file) try { reader = new PotentialFileReader(lmp, file, "polymorphic"); - char * line = reader->next_line(2); - ValueTokenizer values(line); + ValueTokenizer values = reader->next_values(2); int ntypes = values.next_int(); @@ -585,8 +584,7 @@ void PairPolymorphic::read_file(char *file) match = new int[nelements]; for (int i = 0; i < nelements; i++) { - line = reader->next_line(3); - values = ValueTokenizer(line); + values = reader->next_values(3); values.next_double(); // atomic number values.next_double(); // atomic mass std::string name = values.next_string(); @@ -602,9 +600,8 @@ void PairPolymorphic::read_file(char *file) // sizes // Note: the format of this line has changed between the // 2015-06-06 and 2015-12-09 versions of the pair style. - line = reader->next_line(4); try { - values = ValueTokenizer(line); + values = reader->next_values(4); nr = ng = nx = 0; nr = values.next_int(); ng = values.next_int(); @@ -625,8 +622,7 @@ void PairPolymorphic::read_file(char *file) for (int i = 0; i < npair; i++) { PairParameters & p = pairParameters[i]; - line = reader->next_line(2); - values = ValueTokenizer(line); + values = reader->next_values(2); p.cut = values.next_double(); p.cutsq = p.cut*p.cut; p.xi = values.next_double(); diff --git a/src/MANYBODY/pair_sw.cpp b/src/MANYBODY/pair_sw.cpp index 5956431b4e..0aed2ec68b 100644 --- a/src/MANYBODY/pair_sw.cpp +++ b/src/MANYBODY/pair_sw.cpp @@ -360,7 +360,7 @@ void PairSW::read_file(char *file) while((line = reader.next_line(NPARAMS_PER_LINE))) { try { - ValueTokenizer values(line, " \t\n\r\f"); + ValueTokenizer values(line); std::string iname = values.next_string(); std::string jname = values.next_string(); diff --git a/src/MANYBODY/pair_tersoff.cpp b/src/MANYBODY/pair_tersoff.cpp index f5a3fa7e8e..334721d15e 100644 --- a/src/MANYBODY/pair_tersoff.cpp +++ b/src/MANYBODY/pair_tersoff.cpp @@ -405,7 +405,7 @@ void PairTersoff::read_file(char *file) while((line = reader.next_line(NPARAMS_PER_LINE))) { try { - ValueTokenizer values(line, " \t\n\r\f"); + ValueTokenizer values(line); std::string iname = values.next_string(); std::string jname = values.next_string(); diff --git a/src/MANYBODY/pair_tersoff_mod.cpp b/src/MANYBODY/pair_tersoff_mod.cpp index 1998928aa5..48b052495b 100644 --- a/src/MANYBODY/pair_tersoff_mod.cpp +++ b/src/MANYBODY/pair_tersoff_mod.cpp @@ -58,7 +58,7 @@ void PairTersoffMOD::read_file(char *file) while((line = reader.next_line(NPARAMS_PER_LINE))) { try { - ValueTokenizer values(line, " \t\n\r\f"); + ValueTokenizer values(line); std::string iname = values.next_string(); std::string jname = values.next_string(); diff --git a/src/MANYBODY/pair_tersoff_mod_c.cpp b/src/MANYBODY/pair_tersoff_mod_c.cpp index 2ccd31bad2..33e88c70b8 100644 --- a/src/MANYBODY/pair_tersoff_mod_c.cpp +++ b/src/MANYBODY/pair_tersoff_mod_c.cpp @@ -49,7 +49,7 @@ void PairTersoffMODC::read_file(char *file) while((line = reader.next_line(NPARAMS_PER_LINE))) { try { - ValueTokenizer values(line, " \t\n\r\f"); + ValueTokenizer values(line); std::string iname = values.next_string(); std::string jname = values.next_string(); diff --git a/src/MANYBODY/pair_tersoff_zbl.cpp b/src/MANYBODY/pair_tersoff_zbl.cpp index 5cdeb3daff..2b464061ca 100644 --- a/src/MANYBODY/pair_tersoff_zbl.cpp +++ b/src/MANYBODY/pair_tersoff_zbl.cpp @@ -76,7 +76,7 @@ void PairTersoffZBL::read_file(char *file) while((line = reader.next_line(NPARAMS_PER_LINE))) { try { - ValueTokenizer values(line, " \t\n\r\f"); + ValueTokenizer values(line); std::string iname = values.next_string(); std::string jname = values.next_string(); diff --git a/src/MANYBODY/pair_vashishta.cpp b/src/MANYBODY/pair_vashishta.cpp index 68196e3a6a..37fea2582f 100644 --- a/src/MANYBODY/pair_vashishta.cpp +++ b/src/MANYBODY/pair_vashishta.cpp @@ -366,7 +366,7 @@ void PairVashishta::read_file(char *file) while((line = reader.next_line(NPARAMS_PER_LINE))) { try { - ValueTokenizer values(line, " \t\n\r\f"); + ValueTokenizer values(line); std::string iname = values.next_string(); std::string jname = values.next_string(); diff --git a/src/USER-INTEL/pair_eam_alloy_intel.cpp b/src/USER-INTEL/pair_eam_alloy_intel.cpp index 4a7a8b801d..c6cabf8223 100644 --- a/src/USER-INTEL/pair_eam_alloy_intel.cpp +++ b/src/USER-INTEL/pair_eam_alloy_intel.cpp @@ -122,15 +122,12 @@ void PairEAMAlloyIntel::read_file(char *filename) PotentialFileReader reader(lmp, filename, "EAM"); try { - char * line = nullptr; - reader.skip_line(); reader.skip_line(); reader.skip_line(); // extract element names from nelements line - line = reader.next_line(1); - ValueTokenizer values(line); + ValueTokenizer values = reader.next_values(1); file->nelements = values.next_int(); if (values.count() != file->nelements + 1) @@ -146,8 +143,7 @@ void PairEAMAlloyIntel::read_file(char *filename) // - line = reader.next_line(5); - values = ValueTokenizer(line); + values = reader.next_values(5); file->nrho = values.next_int(); file->drho = values.next_double(); file->nr = values.next_int(); @@ -163,8 +159,7 @@ void PairEAMAlloyIntel::read_file(char *filename) memory->create(file->z2r, file->nelements, file->nelements, file->nr + 1, "pair:z2r"); for (int i = 0; i < file->nelements; i++) { - line = reader.next_line(2); - values = ValueTokenizer(line); + values = reader.next_values(2); values.next_int(); // ignore file->mass[i] = values.next_double(); diff --git a/src/USER-INTEL/pair_eam_fs_intel.cpp b/src/USER-INTEL/pair_eam_fs_intel.cpp index 0d4cb5e3ae..417873f1ef 100644 --- a/src/USER-INTEL/pair_eam_fs_intel.cpp +++ b/src/USER-INTEL/pair_eam_fs_intel.cpp @@ -122,15 +122,12 @@ void PairEAMFSIntel::read_file(char *filename) PotentialFileReader reader(lmp, filename, "EAM"); try { - char * line = nullptr; - reader.skip_line(); reader.skip_line(); reader.skip_line(); // extract element names from nelements line - line = reader.next_line(1); - ValueTokenizer values(line); + ValueTokenizer values = reader.next_values(1); file->nelements = values.next_int(); if (values.count() != file->nelements + 1) @@ -146,8 +143,7 @@ void PairEAMFSIntel::read_file(char *filename) // - line = reader.next_line(5); - values = ValueTokenizer(line); + values = reader.next_values(5); file->nrho = values.next_int(); file->drho = values.next_double(); file->nr = values.next_int(); @@ -163,8 +159,7 @@ void PairEAMFSIntel::read_file(char *filename) memory->create(file->z2r, file->nelements, file->nelements, file->nr + 1, "pair:z2r"); for (int i = 0; i < file->nelements; i++) { - line = reader.next_line(2); - values = ValueTokenizer(line); + values = reader.next_values(2); values.next_int(); // ignore file->mass[i] = values.next_double(); diff --git a/src/USER-MISC/dihedral_table.cpp b/src/USER-MISC/dihedral_table.cpp index cf74c58448..7875560ee6 100644 --- a/src/USER-MISC/dihedral_table.cpp +++ b/src/USER-MISC/dihedral_table.cpp @@ -1109,16 +1109,12 @@ void DihedralTable::read_table(Table *tb, char *file, char *keyword) for (int i = 0; i < tb->ninput; i++) { try { if (tb->f_unspecified) { - line = reader.next_line(3); - - ValueTokenizer values(line); + ValueTokenizer values = reader.next_values(3); values.next_int(); tb->phifile[i] = values.next_double(); tb->efile[i] = values.next_double(); } else { - line = reader.next_line(4); - - ValueTokenizer values(line); + ValueTokenizer values = reader.next_values(4); values.next_int(); tb->phifile[i] = values.next_double(); tb->efile[i] = values.next_double(); diff --git a/src/USER-OMP/pair_eam_alloy_omp.cpp b/src/USER-OMP/pair_eam_alloy_omp.cpp index 2f6b4919f1..4674d1935b 100644 --- a/src/USER-OMP/pair_eam_alloy_omp.cpp +++ b/src/USER-OMP/pair_eam_alloy_omp.cpp @@ -122,15 +122,12 @@ void PairEAMAlloyOMP::read_file(char *filename) PotentialFileReader reader(PairEAM::lmp, filename, "EAM"); try { - char * line = nullptr; - reader.skip_line(); reader.skip_line(); reader.skip_line(); // extract element names from nelements line - line = reader.next_line(1); - ValueTokenizer values(line); + ValueTokenizer values = reader.next_values(1); file->nelements = values.next_int(); if (values.count() != file->nelements + 1) @@ -146,8 +143,7 @@ void PairEAMAlloyOMP::read_file(char *filename) // - line = reader.next_line(5); - values = ValueTokenizer(line); + values = reader.next_values(5); file->nrho = values.next_int(); file->drho = values.next_double(); file->nr = values.next_int(); @@ -163,8 +159,7 @@ void PairEAMAlloyOMP::read_file(char *filename) memory->create(file->z2r, file->nelements, file->nelements, file->nr + 1, "pair:z2r"); for (int i = 0; i < file->nelements; i++) { - line = reader.next_line(2); - values = ValueTokenizer(line); + values = reader.next_values(2); values.next_int(); // ignore file->mass[i] = values.next_double(); diff --git a/src/USER-OMP/pair_eam_fs_omp.cpp b/src/USER-OMP/pair_eam_fs_omp.cpp index e16f28cd31..e4a6bb53c5 100644 --- a/src/USER-OMP/pair_eam_fs_omp.cpp +++ b/src/USER-OMP/pair_eam_fs_omp.cpp @@ -122,15 +122,12 @@ void PairEAMFSOMP::read_file(char *filename) PotentialFileReader reader(PairEAM::lmp, filename, "EAM"); try { - char * line = nullptr; - reader.skip_line(); reader.skip_line(); reader.skip_line(); // extract element names from nelements line - line = reader.next_line(1); - ValueTokenizer values(line); + ValueTokenizer values = reader.next_values(1); file->nelements = values.next_int(); if (values.count() != file->nelements + 1) @@ -146,8 +143,7 @@ void PairEAMFSOMP::read_file(char *filename) // - line = reader.next_line(5); - values = ValueTokenizer(line); + values = reader.next_values(5); file->nrho = values.next_int(); file->drho = values.next_double(); file->nr = values.next_int(); @@ -163,8 +159,7 @@ void PairEAMFSOMP::read_file(char *filename) memory->create(file->z2r, file->nelements, file->nelements, file->nr + 1, "pair:z2r"); for (int i = 0; i < file->nelements; i++) { - line = reader.next_line(2); - values = ValueTokenizer(line); + values = reader.next_values(2); values.next_int(); // ignore file->mass[i] = values.next_double(); diff --git a/src/USER-OMP/pair_tersoff_zbl_omp.cpp b/src/USER-OMP/pair_tersoff_zbl_omp.cpp index 9f5e752e74..6a9232f888 100644 --- a/src/USER-OMP/pair_tersoff_zbl_omp.cpp +++ b/src/USER-OMP/pair_tersoff_zbl_omp.cpp @@ -97,7 +97,7 @@ void PairTersoffZBLOMP::read_file(char *file) while((line = reader.next_line(NPARAMS_PER_LINE))) { try { - ValueTokenizer values(line, " \t\n\r\f"); + ValueTokenizer values(line); std::string iname = values.next_string(); std::string jname = values.next_string();