diff --git a/src/GPU/pair_eam_alloy_gpu.cpp b/src/GPU/pair_eam_alloy_gpu.cpp index 275838385c..08ffaef978 100644 --- a/src/GPU/pair_eam_alloy_gpu.cpp +++ b/src/GPU/pair_eam_alloy_gpu.cpp @@ -372,7 +372,7 @@ void PairEAMAlloyGPU::read_file(char *filename) // read potential file if(comm->me == 0) { PotentialFileReader reader(PairEAM::lmp, filename, - "EAMAlloy", unit_convert_flag); + "eam/alloy", unit_convert_flag); // transparently convert units for supported conversions diff --git a/src/GPU/pair_eam_fs_gpu.cpp b/src/GPU/pair_eam_fs_gpu.cpp index 271cb313da..a82107749b 100644 --- a/src/GPU/pair_eam_fs_gpu.cpp +++ b/src/GPU/pair_eam_fs_gpu.cpp @@ -371,7 +371,7 @@ void PairEAMFSGPU::read_file(char *filename) // read potential file if(comm->me == 0) { - PotentialFileReader reader(PairEAM::lmp, filename, "EAMFS", + PotentialFileReader reader(PairEAM::lmp, filename, "eam/fs", unit_convert_flag); // transparently convert units for supported conversions diff --git a/src/KOKKOS/pair_eam_alloy_kokkos.cpp b/src/KOKKOS/pair_eam_alloy_kokkos.cpp index 2f03c5b00e..bea1b28544 100644 --- a/src/KOKKOS/pair_eam_alloy_kokkos.cpp +++ b/src/KOKKOS/pair_eam_alloy_kokkos.cpp @@ -985,7 +985,7 @@ void PairEAMAlloyKokkos::read_file(char *filename) // read potential file if(comm->me == 0) { - PotentialFileReader reader(lmp, filename, "EAMAlloy", unit_convert_flag); + PotentialFileReader reader(lmp, filename, "eam/alloy", unit_convert_flag); // transparently convert units for supported conversions diff --git a/src/KOKKOS/pair_eam_fs_kokkos.cpp b/src/KOKKOS/pair_eam_fs_kokkos.cpp index 3bd5c644c6..978883ab58 100644 --- a/src/KOKKOS/pair_eam_fs_kokkos.cpp +++ b/src/KOKKOS/pair_eam_fs_kokkos.cpp @@ -985,7 +985,7 @@ void PairEAMFSKokkos::read_file(char *filename) // read potential file if(comm->me == 0) { - PotentialFileReader reader(lmp, filename, "EAMFS", unit_convert_flag); + PotentialFileReader reader(lmp, filename, "eam/fs", unit_convert_flag); // transparently convert units for supported conversions diff --git a/src/MANYBODY/pair_adp.cpp b/src/MANYBODY/pair_adp.cpp index 23cff55ca2..74fd03e080 100644 --- a/src/MANYBODY/pair_adp.cpp +++ b/src/MANYBODY/pair_adp.cpp @@ -543,7 +543,7 @@ void PairADP::read_file(char *filename) // read potential file if(comm->me == 0) { - PotentialFileReader reader(lmp, filename, "ADP"); + PotentialFileReader reader(lmp, filename, "adp"); try { reader.skip_line(); diff --git a/src/MANYBODY/pair_airebo.cpp b/src/MANYBODY/pair_airebo.cpp index 73af9e1acf..085905192e 100644 --- a/src/MANYBODY/pair_airebo.cpp +++ b/src/MANYBODY/pair_airebo.cpp @@ -3363,17 +3363,17 @@ void PairAIREBO::read_file(char *filename) std::string header; switch (variant) { case AIREBO: - potential_name = "AIREBO"; + potential_name = "airebo"; header = "# AIREBO "; break; case REBO_2: - potential_name = "REBO2"; + potential_name = "rebo"; header = "# REBO2 "; break; case AIREBO_M: - potential_name = "Cannot open AIREBO-M"; + potential_name = "airebo/morse"; header = "# AIREBO-M "; break; diff --git a/src/MANYBODY/pair_bop.cpp b/src/MANYBODY/pair_bop.cpp index 0a944c20a4..5b080c9f0e 100644 --- a/src/MANYBODY/pair_bop.cpp +++ b/src/MANYBODY/pair_bop.cpp @@ -4914,7 +4914,7 @@ void _noopt PairBOP::read_table(char *filename) { if (comm->me == 0) { try { - PotentialFileReader reader(lmp, filename, "BOP"); + PotentialFileReader reader(lmp, filename, "bop"); bop_types = reader.next_int(); elements = new char*[bop_types]; diff --git a/src/MANYBODY/pair_comb.cpp b/src/MANYBODY/pair_comb.cpp index ce42dcd82e..8c5871b71c 100644 --- a/src/MANYBODY/pair_comb.cpp +++ b/src/MANYBODY/pair_comb.cpp @@ -591,7 +591,7 @@ void PairComb::read_file(char *file) // open file on proc 0 if (comm->me == 0) { - PotentialFileReader reader(lmp, file, "COMB"); + PotentialFileReader reader(lmp, file, "comb"); char * line; while((line = reader.next_line(NPARAMS_PER_LINE))) { diff --git a/src/MANYBODY/pair_comb3.cpp b/src/MANYBODY/pair_comb3.cpp index 289225608c..db6caa3d40 100644 --- a/src/MANYBODY/pair_comb3.cpp +++ b/src/MANYBODY/pair_comb3.cpp @@ -316,7 +316,7 @@ void PairComb3::read_lib() if (comm->me == 0) { try { - PotentialFileReader reader(lmp, "lib.comb3", "COMB3"); + PotentialFileReader reader(lmp, "lib.comb3", "comb3"); reader.next_dvector(ccutoff, 6); reader.next_dvector(ch_a, 7); diff --git a/src/MANYBODY/pair_eam.cpp b/src/MANYBODY/pair_eam.cpp index ba347ccf96..da2385237b 100644 --- a/src/MANYBODY/pair_eam.cpp +++ b/src/MANYBODY/pair_eam.cpp @@ -467,7 +467,7 @@ void PairEAM::read_file(char *filename) // read potential file if(comm->me == 0) { - PotentialFileReader reader(lmp, filename, "EAM", unit_convert_flag); + PotentialFileReader reader(lmp, filename, "eam", unit_convert_flag); // transparently convert units for supported conversions diff --git a/src/MANYBODY/pair_eam_alloy.cpp b/src/MANYBODY/pair_eam_alloy.cpp index 1d6148f8f3..3e33d40ee4 100644 --- a/src/MANYBODY/pair_eam_alloy.cpp +++ b/src/MANYBODY/pair_eam_alloy.cpp @@ -119,7 +119,7 @@ void PairEAMAlloy::read_file(char *filename) // read potential file if(comm->me == 0) { - PotentialFileReader reader(lmp, filename, "EAMAlloy", unit_convert_flag); + PotentialFileReader reader(lmp, filename, "eam/alloy", unit_convert_flag); // transparently convert units for supported conversions diff --git a/src/MANYBODY/pair_eam_fs.cpp b/src/MANYBODY/pair_eam_fs.cpp index 654c64bbd5..fbe6bee529 100644 --- a/src/MANYBODY/pair_eam_fs.cpp +++ b/src/MANYBODY/pair_eam_fs.cpp @@ -119,7 +119,7 @@ void PairEAMFS::read_file(char *filename) // read potential file if(comm->me == 0) { - PotentialFileReader reader(lmp, filename, "EAMFS", unit_convert_flag); + PotentialFileReader reader(lmp, filename, "eam/fs", unit_convert_flag); // transparently convert units for supported conversions diff --git a/src/MANYBODY/pair_eim.cpp b/src/MANYBODY/pair_eim.cpp index 7b84de9de9..4321bd9f8b 100644 --- a/src/MANYBODY/pair_eim.cpp +++ b/src/MANYBODY/pair_eim.cpp @@ -1065,7 +1065,7 @@ EIMPotentialFileReader::EIMPotentialFileReader(LAMMPS *lmp, conversion_factor = utils::get_conversion_factor(utils::ENERGY,unit_convert); if (fp == NULL) { - error->one(FLERR, fmt::format("cannot open EIM potential file {}", filename)); + error->one(FLERR, fmt::format("cannot open eim potential file {}", filename)); } parse(fp); diff --git a/src/MANYBODY/pair_gw.cpp b/src/MANYBODY/pair_gw.cpp index 32b48f7eca..9b995e4b99 100644 --- a/src/MANYBODY/pair_gw.cpp +++ b/src/MANYBODY/pair_gw.cpp @@ -376,7 +376,7 @@ void PairGW::read_file(char *file) // open file on proc 0 if (comm->me == 0) { - PotentialFileReader reader(lmp, file, "GW", unit_convert_flag); + PotentialFileReader reader(lmp, file, "gw", unit_convert_flag); char * line; // transparently convert units for supported conversions diff --git a/src/MANYBODY/pair_gw_zbl.cpp b/src/MANYBODY/pair_gw_zbl.cpp index ddc70174f6..97c1d01b93 100644 --- a/src/MANYBODY/pair_gw_zbl.cpp +++ b/src/MANYBODY/pair_gw_zbl.cpp @@ -70,7 +70,7 @@ void PairGWZBL::read_file(char *file) // open file on proc 0 if (comm->me == 0) { - PotentialFileReader reader(lmp, file, "GW/ZBL", unit_convert_flag); + PotentialFileReader reader(lmp, file, "gw/zbl", unit_convert_flag); char * line; // transparently convert units for supported conversions diff --git a/src/MANYBODY/pair_sw.cpp b/src/MANYBODY/pair_sw.cpp index 68ce28e9a1..3445680833 100644 --- a/src/MANYBODY/pair_sw.cpp +++ b/src/MANYBODY/pair_sw.cpp @@ -356,8 +356,7 @@ void PairSW::read_file(char *file) // open file on proc 0 if (comm->me == 0) { - PotentialFileReader reader(lmp, file, "Stillinger-Weber", - unit_convert_flag); + PotentialFileReader reader(lmp, file, "sw", unit_convert_flag); char * line; // transparently convert units for supported conversions diff --git a/src/MANYBODY/pair_tersoff.cpp b/src/MANYBODY/pair_tersoff.cpp index d690c96497..928550e9c5 100644 --- a/src/MANYBODY/pair_tersoff.cpp +++ b/src/MANYBODY/pair_tersoff.cpp @@ -401,7 +401,7 @@ void PairTersoff::read_file(char *file) // open file on proc 0 if (comm->me == 0) { - PotentialFileReader reader(lmp, file, "Tersoff", unit_convert_flag); + PotentialFileReader reader(lmp, file, "tersoff", unit_convert_flag); char *line; // transparently convert units for supported conversions diff --git a/src/MANYBODY/pair_tersoff_mod.cpp b/src/MANYBODY/pair_tersoff_mod.cpp index 6a60b0855c..64ce66c0cf 100644 --- a/src/MANYBODY/pair_tersoff_mod.cpp +++ b/src/MANYBODY/pair_tersoff_mod.cpp @@ -53,7 +53,7 @@ void PairTersoffMOD::read_file(char *file) // open file on proc 0 if (comm->me == 0) { - PotentialFileReader reader(lmp, file, "TersoffMod", unit_convert_flag); + PotentialFileReader reader(lmp, file, "tersoff/mod", unit_convert_flag); char * line; // transparently convert units for supported conversions diff --git a/src/MANYBODY/pair_tersoff_mod_c.cpp b/src/MANYBODY/pair_tersoff_mod_c.cpp index da14463112..c4c86577e2 100644 --- a/src/MANYBODY/pair_tersoff_mod_c.cpp +++ b/src/MANYBODY/pair_tersoff_mod_c.cpp @@ -44,7 +44,7 @@ void PairTersoffMODC::read_file(char *file) // open file on proc 0 if (comm->me == 0) { - PotentialFileReader reader(lmp, file, "TersoffModC", unit_convert_flag); + PotentialFileReader reader(lmp, file, "tersoff/mod/c", unit_convert_flag); char * line; // transparently convert units for supported conversions diff --git a/src/MANYBODY/pair_tersoff_zbl.cpp b/src/MANYBODY/pair_tersoff_zbl.cpp index adf78fe070..ac6694ccda 100644 --- a/src/MANYBODY/pair_tersoff_zbl.cpp +++ b/src/MANYBODY/pair_tersoff_zbl.cpp @@ -71,7 +71,7 @@ void PairTersoffZBL::read_file(char *file) // open file on proc 0 if (comm->me == 0) { - PotentialFileReader reader(lmp, file, "TersoffZBL", unit_convert_flag); + PotentialFileReader reader(lmp, file, "tersoff/zbl", unit_convert_flag); char * line; // transparently convert units for supported conversions diff --git a/src/MANYBODY/pair_vashishta.cpp b/src/MANYBODY/pair_vashishta.cpp index 1b905a259b..61ee8b0fc0 100644 --- a/src/MANYBODY/pair_vashishta.cpp +++ b/src/MANYBODY/pair_vashishta.cpp @@ -362,7 +362,7 @@ void PairVashishta::read_file(char *file) // open file on proc 0 if (comm->me == 0) { - PotentialFileReader reader(lmp, file, "Vashishta", unit_convert_flag); + PotentialFileReader reader(lmp, file, "vashishta", unit_convert_flag); char * line; // transparently convert units for supported conversions diff --git a/src/USER-INTEL/pair_eam_alloy_intel.cpp b/src/USER-INTEL/pair_eam_alloy_intel.cpp index 15c6a985ce..31430e4bf7 100644 --- a/src/USER-INTEL/pair_eam_alloy_intel.cpp +++ b/src/USER-INTEL/pair_eam_alloy_intel.cpp @@ -119,7 +119,7 @@ void PairEAMAlloyIntel::read_file(char *filename) // read potential file if(comm->me == 0) { - PotentialFileReader reader(lmp, filename, "EAMAlloy", unit_convert_flag); + PotentialFileReader reader(lmp, filename, "eam/alloy", unit_convert_flag); // transparently convert units for supported conversions diff --git a/src/USER-INTEL/pair_eam_fs_intel.cpp b/src/USER-INTEL/pair_eam_fs_intel.cpp index f0306f7426..c5804922f6 100644 --- a/src/USER-INTEL/pair_eam_fs_intel.cpp +++ b/src/USER-INTEL/pair_eam_fs_intel.cpp @@ -119,7 +119,7 @@ void PairEAMFSIntel::read_file(char *filename) // read potential file if(comm->me == 0) { - PotentialFileReader reader(lmp, filename, "EAMFS", unit_convert_flag); + PotentialFileReader reader(lmp, filename, "eam/fs", unit_convert_flag); // transparently convert units for supported conversions diff --git a/src/USER-MISC/pair_tersoff_table.cpp b/src/USER-MISC/pair_tersoff_table.cpp index 590a32c2c6..53719508ca 100644 --- a/src/USER-MISC/pair_tersoff_table.cpp +++ b/src/USER-MISC/pair_tersoff_table.cpp @@ -850,7 +850,7 @@ void PairTersoffTable::read_file(char *file) // open file on proc 0 if (comm->me == 0) { - PotentialFileReader reader(lmp, file, "TersoffTable", unit_convert_flag); + PotentialFileReader reader(lmp, file, "tersoff/table", unit_convert_flag); char *line; // transparently convert units for supported conversions diff --git a/src/USER-OMP/pair_eam_alloy_omp.cpp b/src/USER-OMP/pair_eam_alloy_omp.cpp index 552bab14cd..3e0e423f3d 100644 --- a/src/USER-OMP/pair_eam_alloy_omp.cpp +++ b/src/USER-OMP/pair_eam_alloy_omp.cpp @@ -120,7 +120,7 @@ void PairEAMAlloyOMP::read_file(char *filename) // read potential file if(comm->me == 0) { PotentialFileReader reader(PairEAM::lmp, filename, - "EAMAlloy", unit_convert_flag); + "eam/alloy", unit_convert_flag); // transparently convert units for supported conversions diff --git a/src/USER-OMP/pair_eam_fs_omp.cpp b/src/USER-OMP/pair_eam_fs_omp.cpp index 5e9c76fa86..76e9840a5c 100644 --- a/src/USER-OMP/pair_eam_fs_omp.cpp +++ b/src/USER-OMP/pair_eam_fs_omp.cpp @@ -120,7 +120,7 @@ void PairEAMFSOMP::read_file(char *filename) // read potential file if(comm->me == 0) { PotentialFileReader reader(PairEAM::lmp, filename, - "EAMFS", unit_convert_flag); + "eam/fs", unit_convert_flag); // transparently convert units for supported conversions diff --git a/src/USER-OMP/pair_tersoff_zbl_omp.cpp b/src/USER-OMP/pair_tersoff_zbl_omp.cpp index fa6e84c71b..489baf41f1 100644 --- a/src/USER-OMP/pair_tersoff_zbl_omp.cpp +++ b/src/USER-OMP/pair_tersoff_zbl_omp.cpp @@ -92,7 +92,7 @@ void PairTersoffZBLOMP::read_file(char *file) // open file on proc 0 if (comm->me == 0) { - PotentialFileReader reader(PairTersoff::lmp, file, "TersoffZBLOMP", + PotentialFileReader reader(PairTersoff::lmp, file, "tersoff/zbl", unit_convert_flag); char * line;