kim-api 2.4.1+AppleClang.AppleClang.GNU
An Application Programming Interface (API) for the Knowledgebase of Interatomic Models (KIM).
 
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KIM_ModelCreate.h File Reference

Go to the source code of this file.

Functions

int KIM_ModelCreate_SetModelNumbering (KIM_ModelCreate *const modelCreate, KIM_Numbering const numbering)
 Set the Model's particle Numbering.
 
void KIM_ModelCreate_SetInfluenceDistancePointer (KIM_ModelCreate *const modelCreate, double const *const influenceDistance)
 Set the Model's influence distance data pointer.
 
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_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_SetSpeciesCode (KIM_ModelCreate *const modelCreate, KIM_SpeciesName const speciesName, int const code)
 Set integer code for supported SpeciesName.
 
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_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.
 
void KIM_ModelCreate_SetModelBufferPointer (KIM_ModelCreate *const modelCreate, void *const ptr)
 Set the Model's buffer pointer within the Model object.
 
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_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 base units.
 
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.
 
char const * KIM_ModelCreate_ToString (KIM_ModelCreate const *const modelCreate)
 Get a string representing the internal state of the Model object.
 

Function Documentation

◆ KIM_ModelCreate_ConvertUnit()

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 base units.

See also
KIM::ModelCreate::ConvertUnit, kim_model_create_module::kim_convert_unit
Since
2.0

◆ KIM_ModelCreate_LogEntry()

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.

See also
KIM::ModelCreate::LogEntry, kim_model_create_module::kim_log_entry
Since
2.0

◆ KIM_ModelCreate_SetInfluenceDistancePointer()

void KIM_ModelCreate_SetInfluenceDistancePointer ( KIM_ModelCreate *const modelCreate,
double const *const influenceDistance )

Set the Model's influence distance data pointer.

See also
KIM::ModelCreate::SetInfluenceDistancePointer, kim_model_create_module::kim_set_influence_distance_pointer
Since
2.0

◆ KIM_ModelCreate_SetModelBufferPointer()

void KIM_ModelCreate_SetModelBufferPointer ( KIM_ModelCreate *const modelCreate,
void *const ptr )

◆ KIM_ModelCreate_SetModelNumbering()

int KIM_ModelCreate_SetModelNumbering ( KIM_ModelCreate *const modelCreate,
KIM_Numbering const numbering )

Set the Model's particle Numbering.

See also
KIM::ModelCreate::SetModelNumbering, kim_model_create_module::kim_set_model_numbering
Since
2.0

◆ KIM_ModelCreate_SetNeighborListPointers()

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.

See also
KIM::ModelCreate::SetNeighborListPointers, kim_model_create_module::kim_set_neighbor_list_pointers
Since
2.0

◆ KIM_ModelCreate_SetParameterPointerDouble()

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.

See also
KIM::ModelCreate::SetParameterPointer, kim_model_create_module::kim_set_parameter_pointer
Since
2.0

◆ KIM_ModelCreate_SetParameterPointerInteger()

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.

See also
KIM::ModelCreate::SetParameterPointer, kim_model_create_module::kim_set_parameter_pointer
Since
2.0

◆ KIM_ModelCreate_SetRoutinePointer()

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.

See also
KIM::ModelCreate::SetRoutinePointer, kim_model_create_module::kim_set_routine_pointer
Since
2.0

◆ KIM_ModelCreate_SetSpeciesCode()

int KIM_ModelCreate_SetSpeciesCode ( KIM_ModelCreate *const modelCreate,
KIM_SpeciesName const speciesName,
int const code )

Set integer code for supported SpeciesName.

See also
KIM::ModelCreate::SetSpeciesCode, kim_model_create_module::kim_set_species_code
Since
2.0

◆ KIM_ModelCreate_SetUnits()

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.

See also
KIM::ModelCreate::SetUnits, kim_model_create_module::kim_set_units
Since
2.0

◆ KIM_ModelCreate_ToString()

char const * KIM_ModelCreate_ToString ( KIM_ModelCreate const *const modelCreate)

Get a string representing the internal state of the Model object.

See also
KIM::ModelCreate::ToString, kim_model_create_module::kim_to_string
Since
2.0