31 #ifndef KIM_MODEL_CREATE_H_ 32 #define KIM_MODEL_CREATE_H_ 34 #ifndef KIM_FUNCTION_TYPES_H_ 39 #ifndef KIM_LOG_VERBOSITY_DEFINED_ 40 #define KIM_LOG_VERBOSITY_DEFINED_ 49 #ifndef KIM_LANGUAGE_NAME_DEFINED_ 50 #define KIM_LANGUAGE_NAME_DEFINED_ 59 #ifndef KIM_NUMBERING_DEFINED_ 60 #define KIM_NUMBERING_DEFINED_ 69 #ifndef KIM_MODEL_ROUTINE_NAME_DEFINED_ 70 #define KIM_MODEL_ROUTINE_NAME_DEFINED_ 79 #ifndef KIM_SPECIES_NAME_DEFINED_ 80 #define KIM_SPECIES_NAME_DEFINED_ 89 #ifndef KIM_LENGTH_UNIT_DEFINED_ 90 #define KIM_LENGTH_UNIT_DEFINED_ 99 #ifndef KIM_ENERGY_UNIT_DEFINED_ 100 #define KIM_ENERGY_UNIT_DEFINED_ 109 #ifndef KIM_CHARGE_UNIT_DEFINED_ 110 #define KIM_CHARGE_UNIT_DEFINED_ 119 #ifndef KIM_TEMPERATURE_UNIT_DEFINED_ 120 #define KIM_TEMPERATURE_UNIT_DEFINED_ 129 #ifndef KIM_TIME_UNIT_DEFINED_ 130 #define KIM_TIME_UNIT_DEFINED_ 140 #ifndef KIM_MODEL_CREATE_DEFINED_ 141 #define KIM_MODEL_CREATE_DEFINED_ 174 double const *
const influenceDistance);
186 int const numberOfNeighborLists,
187 double const *
const cutoffs,
188 int const *
const modelWillNotRequestNeighborsOfNoncontributingParticles);
229 char const *
const name,
230 char const *
const description);
244 char const *
const name,
245 char const *
const description);
290 double const lengthExponent,
291 double const energyExponent,
292 double const chargeExponent,
293 double const temperatureExponent,
294 double const timeExponent,
295 double *
const conversionFactor);
306 char const *
const message,
307 int const lineNumber,
308 char const *
const fileName);
void KIM_ModelCreate_SetInfluenceDistancePointer(KIM_ModelCreate *const modelCreate, double const *const influenceDistance)
Set the Model's influence distance data pointer.
void() KIM_Function(void)
Generic function type.
void KIM_ModelCreate_LogEntry(KIM_ModelCreate const *const modelCreate, KIM_LogVerbosity const logVerbosity, char const *const message, int const lineNumber, char const *const fileName)
Write a log entry into the log file.
An Extensible Enumeration for the EnergyUnit's supported by the KIM API.
An Extensible Enumeration for the LengthUnit's supported by the KIM API.
An Extensible Enumeration for the ChargeUnit's supported by the KIM API.
SupportStatus const required
The standard required status.
An Extensible Enumeration for the LanguageName's supported by the KIM API.
void KIM_ModelCreate_SetModelBufferPointer(KIM_ModelCreate *const modelCreate, void *const ptr)
Set the Model's buffer pointer within the Model object.
An Extensible Enumeration for the Numbering's supported by the KIM API.
struct KIM_ModelCreate KIM_ModelCreate
Forward declaration.
An Extensible Enumeration for the ModelRoutineName's supported by the KIM API.
An Extensible Enumeration for the LogVerbosity's supported by the KIM API.
An Extensible Enumeration for the TimeUnit's supported by the KIM API.
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)
Set the Model's base unit values.
int KIM_ModelCreate_SetParameterPointerInteger(KIM_ModelCreate *const modelCreate, int const extent, int *const ptr, char const *const name, char const *const description)
Set the next parameter data pointer to be provided by the model.
int KIM_ModelCreate_SetModelNumbering(KIM_ModelCreate *const modelCreate, KIM_Numbering const numbering)
Set the Model's particle Numbering.
void KIM_ModelCreate_SetNeighborListPointers(KIM_ModelCreate *const modelCreate, int const numberOfNeighborLists, double const *const cutoffs, int const *const modelWillNotRequestNeighborsOfNoncontributingParticles)
Set the Model's neighbor list data pointers.
int KIM_ModelCreate_SetSpeciesCode(KIM_ModelCreate *const modelCreate, KIM_SpeciesName const speciesName, int const code)
Set integer code for supported SpeciesName.
char const * KIM_ModelCreate_ToString(KIM_ModelCreate const *const modelCreate)
Get a string representing the internal state of the Model object.
int KIM_ModelCreate_SetRoutinePointer(KIM_ModelCreate *const modelCreate, KIM_ModelRoutineName const modelRoutineName, KIM_LanguageName const languageName, int const required, KIM_Function *const fptr)
Set the function pointer for the ModelRoutineName of interest.
int KIM_ModelCreate_SetParameterPointerDouble(KIM_ModelCreate *const modelCreate, int const extent, double *const ptr, char const *const name, char const *const description)
Set the next parameter data pointer to be provided by the model.
An Extensible Enumeration for the TemperatureUnit's supported by the KIM API.
int KIM_ModelCreate_ConvertUnit(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)
Get the multiplicative factor to convert between a derived unit represented in two different sets of ...
An Extensible Enumeration for the SpeciesName's supported by the KIM API.