36 #ifndef KIM_MODEL_DRIVER_CREATE_H_ 37 #define KIM_MODEL_DRIVER_CREATE_H_ 39 #ifndef KIM_FUNCTION_TYPES_H_ 44 #ifndef KIM_LOG_VERBOSITY_DEFINED_ 45 #define KIM_LOG_VERBOSITY_DEFINED_ 54 #ifndef KIM_LANGUAGE_NAME_DEFINED_ 55 #define KIM_LANGUAGE_NAME_DEFINED_ 64 #ifndef KIM_NUMBERING_DEFINED_ 65 #define KIM_NUMBERING_DEFINED_ 74 #ifndef KIM_MODEL_ROUTINE_NAME_DEFINED_ 75 #define KIM_MODEL_ROUTINE_NAME_DEFINED_ 84 #ifndef KIM_SPECIES_NAME_DEFINED_ 85 #define KIM_SPECIES_NAME_DEFINED_ 94 #ifndef KIM_LENGTH_UNIT_DEFINED_ 95 #define KIM_LENGTH_UNIT_DEFINED_ 104 #ifndef KIM_ENERGY_UNIT_DEFINED_ 105 #define KIM_ENERGY_UNIT_DEFINED_ 114 #ifndef KIM_CHARGE_UNIT_DEFINED_ 115 #define KIM_CHARGE_UNIT_DEFINED_ 124 #ifndef KIM_TEMPERATURE_UNIT_DEFINED_ 125 #define KIM_TEMPERATURE_UNIT_DEFINED_ 134 #ifndef KIM_TIME_UNIT_DEFINED_ 135 #define KIM_TIME_UNIT_DEFINED_ 145 #ifndef KIM_MODEL_DRIVER_CREATE_DEFINED_ 146 #define KIM_MODEL_DRIVER_CREATE_DEFINED_ 169 int *
const numberOfParameterFiles);
182 char const **
const parameterFileName);
206 double const *
const influenceDistance);
218 int const numberOfNeighborLists,
219 double const *
const cutoffs,
220 int const *
const modelWillNotRequestNeighborsOfNoncontributingParticles);
262 char const *
const name,
263 char const *
const description);
277 char const *
const name,
278 char const *
const description);
326 double const lengthExponent,
327 double const energyExponent,
328 double const chargeExponent,
329 double const temperatureExponent,
330 double const timeExponent,
331 double *
const conversionFactor);
344 char const *
const message,
345 int const lineNumber,
346 char const *
const fileName);
int KIM_ModelDriverCreate_SetParameterPointerInteger(KIM_ModelDriverCreate *const modelDriverCreate, 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_ModelDriverCreate_SetUnits(KIM_ModelDriverCreate *const modelDriverCreate, 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_ModelDriverCreate_SetRoutinePointer(KIM_ModelDriverCreate *const modelDriverCreate, KIM_ModelRoutineName const modelRoutineName, KIM_LanguageName const languageName, int const required, KIM_Function *const fptr)
Set the function pointer for the ModelRoutineName of interest.
void() KIM_Function(void)
Generic function type.
void KIM_ModelDriverCreate_GetNumberOfParameterFiles(KIM_ModelDriverCreate const *const modelDriverCreate, int *const numberOfParameterFiles)
Get the number of parameter files provided by the parameterized model.
An Extensible Enumeration for the EnergyUnit's supported by the KIM API.
int KIM_ModelDriverCreate_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 LengthUnit's supported by the KIM API.
An Extensible Enumeration for the ChargeUnit's supported by the KIM API.
void KIM_ModelDriverCreate_SetInfluenceDistancePointer(KIM_ModelDriverCreate *const modelDriverCreate, double const *const influenceDistance)
Set the Model's influence distance data pointer.
SupportStatus const required
The standard required status.
An Extensible Enumeration for the LanguageName's supported by the KIM API.
An Extensible Enumeration for the Numbering's supported by the KIM API.
int KIM_ModelDriverCreate_GetParameterFileName(KIM_ModelDriverCreate const *const modelDriverCreate, int const index, char const **const parameterFileName)
Get a particular parameter file name.
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_ModelDriverCreate_SetSpeciesCode(KIM_ModelDriverCreate *const modelDriverCreate, KIM_SpeciesName const speciesName, int const code)
Set integer code for supported SpeciesName.
int KIM_ModelDriverCreate_SetParameterPointerDouble(KIM_ModelDriverCreate *const modelDriverCreate, 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.
char const * KIM_ModelDriverCreate_ToString(KIM_ModelDriverCreate const *const modelDriverCreate)
Get a string representing the internal state of the Model object.
An Extensible Enumeration for the TemperatureUnit's supported by the KIM API.
void KIM_ModelDriverCreate_SetModelBufferPointer(KIM_ModelDriverCreate *const modelDriverCreate, void *const ptr)
Set the Model's buffer pointer within the Model object.
int KIM_ModelDriverCreate_SetModelNumbering(KIM_ModelDriverCreate *const modelDriverCreate, KIM_Numbering const numbering)
Set the Model's particle Numbering.
struct KIM_ModelDriverCreate KIM_ModelDriverCreate
Forward declaration.
void KIM_ModelDriverCreate_SetNeighborListPointers(KIM_ModelDriverCreate *const modelDriverCreate, int const numberOfNeighborLists, double const *const cutoffs, int const *const modelWillNotRequestNeighborsOfNoncontributingParticles)
Set the Model's neighbor list data pointers.
An Extensible Enumeration for the SpeciesName's supported by the KIM API.
void KIM_ModelDriverCreate_LogEntry(KIM_ModelDriverCreate const *const modelDriverCreate, KIM_LogVerbosity const logVerbosity, char const *const message, int const lineNumber, char const *const fileName)
Write a log entry into the log file.