diff --git a/src/KIM/kim_init.cpp b/src/KIM/kim_init.cpp index 4894ffac6d..e6e4d81534 100644 --- a/src/KIM/kim_init.cpp +++ b/src/KIM/kim_init.cpp @@ -180,19 +180,19 @@ void KimInit::determine_model_type_and_units(char * model_name, KIM_TemperatureUnit temperatureUnit; KIM_TimeUnit timeUnit; int units_accepted; - KIM_Collections * kim_Coll; + KIM_Collections * collections; KIM_CollectionItemType itemType; - int kim_error = KIM_Collections_Create(&kim_Coll); + int kim_error = KIM_Collections_Create(&collections); if (kim_error) error->all(FLERR,"Unable to access KIM Collections to find Model"); auto logID = fmt::format("{}_Collections", comm->me); - KIM_Collections_SetLogID(kim_Coll, logID.c_str()); + KIM_Collections_SetLogID(collections, logID.c_str()); - kim_error = KIM_Collections_GetItemType(kim_Coll, model_name, &itemType); + kim_error = KIM_Collections_GetItemType(collections, model_name, &itemType); if (kim_error) error->all(FLERR,"KIM Model name not found"); - KIM_Collections_Destroy(&kim_Coll); + KIM_Collections_Destroy(&collections); if (KIM_CollectionItemType_Equal(itemType, KIM_COLLECTION_ITEM_TYPE_portableModel)) { @@ -251,34 +251,35 @@ void KimInit::determine_model_type_and_units(char * model_name, } } else if (KIM_CollectionItemType_Equal( itemType, KIM_COLLECTION_ITEM_TYPE_simulatorModel)) { - KIM_SimulatorModel * kim_SM; - kim_error = KIM_SimulatorModel_Create(model_name, &kim_SM); + KIM_SimulatorModel * simulatorModel; + kim_error = KIM_SimulatorModel_Create(model_name, &simulatorModel); if (kim_error) error->all(FLERR,"Unable to load KIM Simulator Model"); model_type = SM; logID = fmt::format("{}_SimulatorModel", comm->me); - KIM_SimulatorModel_SetLogID(kim_SM, logID.c_str()); + KIM_SimulatorModel_SetLogID(simulatorModel, logID.c_str()); int sim_fields; int sim_lines; char const * sim_field; char const * sim_value; - KIM_SimulatorModel_GetNumberOfSimulatorFields(kim_SM, &sim_fields); - KIM_SimulatorModel_CloseTemplateMap(kim_SM); + KIM_SimulatorModel_GetNumberOfSimulatorFields(simulatorModel, &sim_fields); + KIM_SimulatorModel_CloseTemplateMap(simulatorModel); for (int i=0; i < sim_fields; ++i) { KIM_SimulatorModel_GetSimulatorFieldMetadata( - kim_SM,i,&sim_lines,&sim_field); + simulatorModel, i, &sim_lines, &sim_field); if (0 == strcmp(sim_field,"units")) { - KIM_SimulatorModel_GetSimulatorFieldLine(kim_SM,i,0,&sim_value); + KIM_SimulatorModel_GetSimulatorFieldLine( + simulatorModel, i, 0, &sim_value); int len=strlen(sim_value)+1; *model_units = new char[len]; strcpy(*model_units,sim_value); break; } } - KIM_SimulatorModel_Destroy(&kim_SM); + KIM_SimulatorModel_Destroy(&simulatorModel); if ((! unit_conversion_mode) && (strcmp(*model_units, user_units)!=0)) { error->all(FLERR,fmt::format("Incompatible units for KIM Simulator Model" @@ -309,7 +310,7 @@ void KimInit::do_init(char *model_name, char *user_units, char *model_units, KIM KIM_SimulatorModel * simulatorModel; if (model_type == SM) { int kim_error = - KIM_SimulatorModel_Create(model_name,&simulatorModel); + KIM_SimulatorModel_Create(model_name, &simulatorModel); if (kim_error) error->all(FLERR,"Unable to load KIM Simulator Model"); @@ -318,7 +319,7 @@ void KimInit::do_init(char *model_name, char *user_units, char *model_units, KIM char const *sim_name, *sim_version; KIM_SimulatorModel_GetSimulatorNameAndVersion( - simulatorModel,&sim_name, &sim_version); + simulatorModel, &sim_name, &sim_version); if (0 != strcmp(sim_name,"LAMMPS")) error->all(FLERR,"Incompatible KIM Simulator Model"); @@ -478,26 +479,28 @@ void KimInit::do_variables(const std::string &from, const std::string &to) void KimInit::write_log_cite(char *model_name) { - KIM_Collections * coll; - int err = KIM_Collections_Create(&coll); + KIM_Collections * collections; + int err = KIM_Collections_Create(&collections); if (err) return; auto logID = fmt::format("{}_Collections", comm->me); - KIM_Collections_SetLogID(coll, logID.c_str()); + KIM_Collections_SetLogID(collections, logID.c_str()); int extent; if (model_type == MO) { err = KIM_Collections_CacheListOfItemMetadataFiles( - coll,KIM_COLLECTION_ITEM_TYPE_portableModel,model_name,&extent); + collections, KIM_COLLECTION_ITEM_TYPE_portableModel, + model_name,&extent); } else if (model_type == SM) { err = KIM_Collections_CacheListOfItemMetadataFiles( - coll,KIM_COLLECTION_ITEM_TYPE_simulatorModel,model_name,&extent); + collections, KIM_COLLECTION_ITEM_TYPE_simulatorModel, + model_name, &extent); } else { error->all(FLERR,"Unknown model type"); } if (err) { - KIM_Collections_Destroy(&coll); + KIM_Collections_Destroy(&collections); return; } @@ -506,7 +509,8 @@ void KimInit::write_log_cite(char *model_name) int availableAsString; char const * fileString; err = KIM_Collections_GetItemMetadataFile( - coll,i,&fileName,nullptr,nullptr,&availableAsString,&fileString); + collections, i, &fileName, nullptr, nullptr, + &availableAsString, &fileString); if (err) continue; if (0 == strncmp("kimcite",fileName,7)) { @@ -514,5 +518,5 @@ void KimInit::write_log_cite(char *model_name) } } - KIM_Collections_Destroy(&coll); + KIM_Collections_Destroy(&collections); }