36 #ifndef KIM_MODEL_CREATE_H_ 37 #define KIM_MODEL_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_CREATE_DEFINED_ 146 #define KIM_MODEL_CREATE_DEFINED_ 179 double const *
const influenceDistance);
191 int const numberOfNeighborLists,
192 double const *
const cutoffs,
193 int const *
const modelWillNotRequestNeighborsOfNoncontributingParticles);
234 char const *
const name,
235 char const *
const description);
249 char const *
const name,
250 char const *
const description);
295 double const lengthExponent,
296 double const energyExponent,
297 double const chargeExponent,
298 double const temperatureExponent,
299 double const timeExponent,
300 double *
const conversionFactor);
311 char const *
const message,
312 int const lineNumber,
313 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.