diff --git a/src/KIM/kim_param.cpp b/src/KIM/kim_param.cpp index 6dfcfc10a9..99c30c4770 100644 --- a/src/KIM/kim_param.cpp +++ b/src/KIM/kim_param.cpp @@ -155,11 +155,9 @@ void KimParam::command(int narg, char **arg) std::string kim_param_get_set(arg[0]); - if ((kim_param_get_set != "get") && (kim_param_get_set != "set")) { - std::string msg("Incorrect arguments in 'kim param' command.\n"); - msg += "'kim param get/set' is mandatory"; - error->all(FLERR, msg); - } + if ((kim_param_get_set != "get") && (kim_param_get_set != "set")) + error->all(FLERR, "Incorrect arguments in 'kim param' command.\n" + "'kim param get/set' is mandatory"); int const ifix = modify->find_fix("KIM_MODEL_STORE"); if (ifix >= 0) { @@ -170,8 +168,7 @@ void KimParam::command(int narg, char **arg) fix_store->getptr("simulator_model")); if (simulatorModel) - error->all(FLERR, - "'kim param' can only be used with a KIM Portable Model"); + error->all(FLERR, "'kim param' can only be used with a KIM Portable Model"); } input->write_echo(fmt::format("#=== BEGIN kim param {} ===================" @@ -196,13 +193,10 @@ void KimParam::command(int narg, char **arg) } else error->all(FLERR, "Pair style is defined, but there is " "no match for kim style in lammps"); - } else { - auto msg = fmt::format("Illegal 'kim param {0}' command.\nTo {0} the new " - "parameter values, pair style must be assigned.\n" - "Must use 'kim interactions' or 'pair_style kim' " - "before 'kim param {0}'", kim_param_get_set); - error->all(FLERR, msg); - } + } else + error->all(FLERR, "Illegal 'kim param {0}' command.\nTo {0} the new parameter values, " + "pair style must be assigned.\nMust use 'kim interactions' or 'pair_style kim' " + "before 'kim param {0}'", kim_param_get_set); // Get the number of mutable parameters in the kim model int numberOfParameters(0); @@ -243,12 +237,9 @@ void KimParam::command(int narg, char **arg) if (paramname == str_name_str) break; } - if (param_index >= numberOfParameters) { - auto msg = fmt::format("Wrong argument in 'kim param get' command.\n" - "This Model does not have the requested '{}' " - "parameter", paramname); - error->all(FLERR, msg); - } + if (param_index >= numberOfParameters) + error->all(FLERR, "Wrong argument in 'kim param get' command.\n" + "This Model does not have the requested '{}' parameter", paramname); // Get the index_range for the requested parameter int nlbound(0); @@ -259,12 +250,9 @@ void KimParam::command(int narg, char **arg) // Check to see if the indices range contains // only integer numbers and/or range : - if (argtostr.find_first_not_of("0123456789:") != std::string::npos) { - auto msg = fmt::format("Illegal index_range.\nExpected integer " - "parameter(s) instead of '{}' in " - "index_range", argtostr); - error->all(FLERR, msg); - } + if (argtostr.find_first_not_of("0123456789:") != std::string::npos) + error->all(FLERR, "Illegal index_range.\nExpected integer parameter(s) instead " + "of '{}' in index_range", argtostr); std::string::size_type npos = argtostr.find(':'); if (npos != std::string::npos) { @@ -273,30 +261,20 @@ void KimParam::command(int narg, char **arg) nlbound = atoi(words[0].c_str()); nubound = atoi(words[1].c_str()); - if (nubound < 1 || nubound > extent || - nlbound < 1 || nlbound > nubound) { - auto msg = fmt::format("Illegal index_range '{}-{}' for '{}' " - "parameter with the extent of '{}'", - nlbound, nubound, paramname, extent); - error->all(FLERR, msg); - } + if ((nubound < 1) || (nubound > extent) || (nlbound < 1) || (nlbound > nubound)) + error->all(FLERR, "Illegal index_range '{}-{}' for '{}' parameter with the " + "extent of '{}'",nlbound, nubound, paramname, extent); } else { nlbound = atoi(argtostr.c_str()); - if (nlbound < 1 || nlbound > extent) { - auto msg = fmt::format("Illegal index '{}' for '{}' parameter " - "with the extent of '{}'", nlbound, - paramname, extent); - error->all(FLERR, msg); - } - + if (nlbound < 1 || nlbound > extent) + error->all(FLERR, "Illegal index '{}' for '{}' parameter with the extent of '{}'", + nlbound, paramname, extent); nubound = nlbound; } - } else { - std::string msg("Wrong number of arguments in 'kim param get' "); - msg += "command.\nIndex range after parameter name is mandatory"; - error->all(FLERR, msg); - } + } else + error->all(FLERR, "Wrong number of arguments in 'kim param get' command.\n" + "Index range after parameter name is mandatory"); int const nvars = nubound - nlbound + 1; std::vector varsname; @@ -304,15 +282,11 @@ void KimParam::command(int narg, char **arg) if (i < narg) { // Get the variable/variable_base name varname = std::string(arg[i++]); - if ((varname == "split") || - (varname == "list") || - (varname == "explicit")) - error->all(FLERR, "Illegal variable name in 'kim param get'"); - } else { - std::string msg("Wrong number of arguments in 'kim param get' "); - msg += "command.\nThe LAMMPS variable name is mandatory"; - error->all(FLERR, msg); - } + if ((varname == "split") || (varname == "list") || (varname == "explicit")) + error->all(FLERR, "Illegal variable name {} in 'kim param get'", varname); + } else + error->all(FLERR, "Wrong number of arguments in 'kim param get' command.\n" + "The LAMMPS variable name is mandatory"); // indicator flag for list request bool list_requested(false); @@ -337,28 +311,22 @@ void KimParam::command(int narg, char **arg) --i; for (int j = 0; j < nvars; ++j, ++i) { varsname[j] = std::string(arg[i]); - if (varsname[j] == "split" || varsname[j] == "list" || - varsname[j] == "explicit") - error->all(FLERR, "Illegal variable name in 'kim param get'"); + if (varsname[j] == "split" || varsname[j] == "list" || varsname[j] == "explicit") + error->all(FLERR, "Illegal variable name {} in 'kim param get'", varsname[j]); } if (i < narg) { formatarg = std::string(arg[i]); if (formatarg == "explicit") ++i; } } else { - auto msg = - fmt::format("Wrong number of arguments in 'kim param get' " - "command.\nThe LAMMPS '{}' variable names or " - "'{} split' is mandatory", nvars, varname); - error->all(FLERR, msg); + error->all(FLERR, "Wrong number of arguments in 'kim param get' command.\n" + "The LAMMPS '{}' variable names or '{} split' is mandatory", + nvars, varname); } - } else { - auto msg = - fmt::format("Wrong number of arguments in 'kim param get' " - "command.\nThe LAMMPS '{}' variable names or " - "'{} split/list' is mandatory", nvars, varname); - error->all(FLERR, msg); - } + } else + error->all(FLERR, "Wrong number of arguments in 'kim param get' command.\n" + "The LAMMPS '{}' variable names or '{} split/list' is mandatory", + nvars, varname); } else { varsname.resize(1); if (i < narg) { diff --git a/src/KIM/pair_kim.cpp b/src/KIM/pair_kim.cpp index 92fc9b68a7..6a5a792797 100644 --- a/src/KIM/pair_kim.cpp +++ b/src/KIM/pair_kim.cpp @@ -483,15 +483,13 @@ void PairKIM::coeff(int narg, char **arg) nlbound = atoi(words[0].c_str()); nubound = atoi(words[1].c_str()); - if (nubound < 1 || nubound > extent || - nlbound < 1 || nlbound > nubound) - error->all(FLERR,"Illegal index_range '{}-{}' for '{}' " - "parameter with the extent of '{}'", + if ((nubound < 1) || (nubound > extent) || (nlbound < 1) || (nlbound > nubound)) + error->all(FLERR,"Illegal index_range '{}-{}' for '{}' parameter with the extent of '{}'", nlbound, nubound, paramname, extent); } else { nlbound = atoi(argtostr.c_str()); - if (nlbound < 1 || nlbound > extent) + if ((nlbound < 1) || (nlbound > extent)) error->all(FLERR,"Illegal index '{}' for '{}' parameter with the extent of '{}'", nlbound, paramname, extent); @@ -1081,8 +1079,7 @@ void PairKIM::set_kim_model_has_flags() KIM_ComputeArguments_GetArgumentSupportStatus( pargs, computeArgumentName, &supportStatus); - if (KIM_ComputeArgumentName_Equal(computeArgumentName, - KIM_COMPUTE_ARGUMENT_NAME_partialEnergy)) + if (KIM_ComputeArgumentName_Equal(computeArgumentName, KIM_COMPUTE_ARGUMENT_NAME_partialEnergy)) kim_model_support_for_energy = supportStatus; else if (KIM_ComputeArgumentName_Equal( computeArgumentName, KIM_COMPUTE_ARGUMENT_NAME_partialForces)) @@ -1095,17 +1092,14 @@ void PairKIM::set_kim_model_has_flags() computeArgumentName, KIM_COMPUTE_ARGUMENT_NAME_partialParticleVirial)) kim_model_support_for_particleVirial = supportStatus; - else if (KIM_SupportStatus_Equal(supportStatus, - KIM_SUPPORT_STATUS_required)) { - std::string msg("KIM Model requires unsupported compute argument: "); - msg += KIM_ComputeArgumentName_ToString(computeArgumentName); - error->all(FLERR,msg); + else if (KIM_SupportStatus_Equal(supportStatus, KIM_SUPPORT_STATUS_required)) { + error->all(FLERR, "KIM Model requires unsupported compute argument: {}", + KIM_ComputeArgumentName_ToString(computeArgumentName)); } } if (comm->me == 0) { - if (KIM_SupportStatus_Equal(kim_model_support_for_energy, - KIM_SUPPORT_STATUS_notSupported)) + if (KIM_SupportStatus_Equal(kim_model_support_for_energy, KIM_SUPPORT_STATUS_notSupported)) error->warning(FLERR,"KIM Model does not provide 'partialEnergy'; Potential energy will be zero"); if (KIM_SupportStatus_Equal(kim_model_support_for_forces,