36 #ifndef KIM_MODEL_CREATE_H_ 37 #define KIM_MODEL_CREATE_H_ 44 #ifndef KIM_LOG_VERBOSITY_DEFINED_ 45 #define KIM_LOG_VERBOSITY_DEFINED_ 49 #ifndef KIM_LANGUAGE_NAME_DEFINED_ 50 #define KIM_LANGUAGE_NAME_DEFINED_ 54 #ifndef KIM_NUMBERING_DEFINED_ 55 #define KIM_NUMBERING_DEFINED_ 59 #ifndef KIM_SPECIES_NAME_DEFINED_ 60 #define KIM_SPECIES_NAME_DEFINED_ 64 #ifndef KIM_SUPPORT_STATUS_DEFINED_ 65 #define KIM_SUPPORT_STATUS_DEFINED_ 69 #ifndef KIM_LENGTH_UNIT_DEFINED_ 70 #define KIM_LENGTH_UNIT_DEFINED_ 74 #ifndef KIM_ENERGY_UNIT_DEFINED_ 75 #define KIM_ENERGY_UNIT_DEFINED_ 79 #ifndef KIM_CHARGE_UNIT_DEFINED_ 80 #define KIM_CHARGE_UNIT_DEFINED_ 84 #ifndef KIM_TEMPERATURE_UNIT_DEFINED_ 85 #define KIM_TEMPERATURE_UNIT_DEFINED_ 89 #ifndef KIM_TIME_UNIT_DEFINED_ 90 #define KIM_TIME_UNIT_DEFINED_ 97 #ifndef KIM_MODEL_CREATE_DEFINED_ 98 #define KIM_MODEL_CREATE_DEFINED_ 109 double *
const influenceDistance);
113 int const numberOfNeighborLists,
114 double const *
const cutoffs,
115 int const *
const paddingNeighborHints,
116 int const *
const halfListHints);
140 int const extent,
int *
const ptr,
char const *
const description);
143 int const extent,
double *
const ptr,
char const *
const description);
168 double const lengthExponent,
169 double const energyExponent,
170 double const chargeExponent,
171 double const temperatureExponent,
172 double const timeExponent,
173 double *
const conversionFactor);
178 int const lineNumber,
char const *
const fileName);
void KIM_ModelCreate_LogEntry(KIM_ModelCreate const *const modelCreate, KIM_LogVerbosity const logVerbosity, char const *const message, int const lineNumber, char const *const fileName)
int KIM_ModelCreate_ConvertUnit(KIM_ModelCreate const *const modelCreate, KIM_LengthUnit const fromLengthUnit, KIM_EnergyUnit const fromEnergyUnit, KIM_ChargeUnit const fromChargeUnit, KIM_TemperatureUnit const fromTemperatureUnit, KIM_TimeUnit const fromTimeUnit, KIM_LengthUnit const toLengthUnit, KIM_EnergyUnit const toEnergyUnit, KIM_ChargeUnit const toChargeUnit, KIM_TemperatureUnit const toTemperatureUnit, KIM_TimeUnit const toTimeUnit, double const lengthExponent, double const energyExponent, double const chargeExponent, double const temperatureExponent, double const timeExponent, double *const conversionFactor)
int KIM_ModelCreate_SetComputePointer(KIM_ModelCreate *const modelCreate, KIM_LanguageName const languageName, func *const fptr)
int KIM_ModelCreate_SetComputeArgumentsCreatePointer(KIM_ModelCreate *const modelCreate, KIM_LanguageName const languageName, func *const fptr)
char const *const KIM_ModelCreate_String(KIM_ModelCreate const *const modelCreate)
void KIM_ModelCreate_SetModelBufferPointer(KIM_ModelCreate *const modelCreate, void *const ptr)
int KIM_ModelCreate_SetRefreshPointer(KIM_ModelCreate *const modelCreate, KIM_LanguageName const languageName, func *const fptr)
int KIM_ModelCreate_SetComputeArgumentsDestroyPointer(KIM_ModelCreate *const modelCreate, KIM_LanguageName const languageName, func *const fptr)
int KIM_ModelCreate_SetParameterPointerInteger(KIM_ModelCreate *const modelCreate, int const extent, int *const ptr, char const *const description)
int KIM_ModelCreate_SetDestroyPointer(KIM_ModelCreate *const modelCreate, KIM_LanguageName const languageName, func *const fptr)
void KIM_ModelCreate_SetInfluenceDistancePointer(KIM_ModelCreate *const modelCreate, double *const influenceDistance)
int KIM_ModelCreate_SetUnits(KIM_ModelCreate *const modelCreate, KIM_LengthUnit const lengthUnit, KIM_EnergyUnit const energyUnit, KIM_ChargeUnit const chargeUnit, KIM_TemperatureUnit const temperatureUnit, KIM_TimeUnit const timeUnit)
int KIM_ModelCreate_SetModelNumbering(KIM_ModelCreate *const modelCreate, KIM_Numbering const numbering)
int KIM_ModelCreate_SetParameterPointerDouble(KIM_ModelCreate *const modelCreate, int const extent, double *const ptr, char const *const description)
int KIM_ModelCreate_SetSpeciesCode(KIM_ModelCreate *const modelCreate, KIM_SpeciesName const speciesName, int const code)
void KIM_ModelCreate_SetNeighborListPointers(KIM_ModelCreate *const modelCreate, int const numberOfNeighborLists, double const *const cutoffs, int const *const paddingNeighborHints, int const *const halfListHints)
struct KIM_ModelCreate KIM_ModelCreate