kim-api 2.4.1+AppleClang.AppleClang.GNU
An Application Programming Interface (API) for the Knowledgebase of Interatomic Models (KIM).
 
Loading...
Searching...
No Matches
KIM_ModelDriverCreate.h File Reference

Go to the source code of this file.

Functions

void KIM_ModelDriverCreate_GetParameterFileDirectoryName (KIM_ModelDriverCreate const *const modelDriverCreate, char const **const directoryName)
 Get absolute path name of the temporary directory where parameter files provided by the model are written.
 
void KIM_ModelDriverCreate_GetNumberOfParameterFiles (KIM_ModelDriverCreate const *const modelDriverCreate, int *const numberOfParameterFiles)
 Get the number of parameter files provided by the parameterized model.
 
int KIM_ModelDriverCreate_GetParameterFileName (KIM_ModelDriverCreate const *const modelDriverCreate, int const index, char const **const parameterFileName)
 Get a particular parameter file name.
 
int KIM_ModelDriverCreate_GetParameterFileBasename (KIM_ModelDriverCreate const *const modelDriverCreate, int const index, char const **const parameterFileBasename)
 Get a particular parameter file basename. The file is located in the Model's parameter file directory.
 
int KIM_ModelDriverCreate_SetModelNumbering (KIM_ModelDriverCreate *const modelDriverCreate, KIM_Numbering const numbering)
 Set the Model's particle Numbering.
 
void KIM_ModelDriverCreate_SetInfluenceDistancePointer (KIM_ModelDriverCreate *const modelDriverCreate, double const *const influenceDistance)
 Set the Model's influence distance data pointer.
 
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.
 
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.
 
int KIM_ModelDriverCreate_SetSpeciesCode (KIM_ModelDriverCreate *const modelDriverCreate, KIM_SpeciesName const speciesName, int const code)
 Set integer code for supported SpeciesName.
 
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_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.
 
void KIM_ModelDriverCreate_SetModelBufferPointer (KIM_ModelDriverCreate *const modelDriverCreate, void *const ptr)
 Set the Model's buffer pointer within the Model object.
 
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_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_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.
 
char const * KIM_ModelDriverCreate_ToString (KIM_ModelDriverCreate const *const modelDriverCreate)
 Get a string representing the internal state of the Model object.
 

Function Documentation

◆ KIM_ModelDriverCreate_ConvertUnit()

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 base units.

See also
KIM::ModelDriverCreate::ConvertUnit, kim_model_driver_create_module::kim_convert_unit
Since
2.0

◆ KIM_ModelDriverCreate_GetNumberOfParameterFiles()

void KIM_ModelDriverCreate_GetNumberOfParameterFiles ( KIM_ModelDriverCreate const *const modelDriverCreate,
int *const numberOfParameterFiles )

Get the number of parameter files provided by the parameterized model.

See also
KIM::ModelDriverCreate::GetNumberOfParameterFiles, kim_model_driver_create_module::kim_get_number_of_parameter_files
Since
2.0

◆ KIM_ModelDriverCreate_GetParameterFileBasename()

int KIM_ModelDriverCreate_GetParameterFileBasename ( KIM_ModelDriverCreate const *const modelDriverCreate,
int const index,
char const **const parameterFileBasename )

Get a particular parameter file basename. The file is located in the Model's parameter file directory.

See also
KIM::ModelDriverCreate::GetParameterFileBasename, kim_model_driver_create_module::kim_get_parameter_file_basename
Since
2.2

◆ KIM_ModelDriverCreate_GetParameterFileDirectoryName()

void KIM_ModelDriverCreate_GetParameterFileDirectoryName ( KIM_ModelDriverCreate const *const modelDriverCreate,
char const **const directoryName )

Get absolute path name of the temporary directory where parameter files provided by the model are written.

See also
KIM::ModelDriverCreate::GetParameterFileDirectoryName, kim_model_driver_create_module::kim_get_parameter_file_directory_name
Since
2.2

◆ KIM_ModelDriverCreate_GetParameterFileName()

int KIM_ModelDriverCreate_GetParameterFileName ( KIM_ModelDriverCreate const *const modelDriverCreate,
int const index,
char const **const parameterFileName )

◆ KIM_ModelDriverCreate_LogEntry()

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.

See also
KIM::ModelDriverCreate::LogEntry, kim_model_driver_create_module::kim_log_entry
Since
2.0

◆ KIM_ModelDriverCreate_SetInfluenceDistancePointer()

void KIM_ModelDriverCreate_SetInfluenceDistancePointer ( KIM_ModelDriverCreate *const modelDriverCreate,
double const *const influenceDistance )

◆ KIM_ModelDriverCreate_SetModelBufferPointer()

void KIM_ModelDriverCreate_SetModelBufferPointer ( KIM_ModelDriverCreate *const modelDriverCreate,
void *const ptr )

◆ KIM_ModelDriverCreate_SetModelNumbering()

int KIM_ModelDriverCreate_SetModelNumbering ( KIM_ModelDriverCreate *const modelDriverCreate,
KIM_Numbering const numbering )

◆ KIM_ModelDriverCreate_SetNeighborListPointers()

void KIM_ModelDriverCreate_SetNeighborListPointers ( KIM_ModelDriverCreate *const modelDriverCreate,
int const numberOfNeighborLists,
double const *const cutoffs,
int const *const modelWillNotRequestNeighborsOfNoncontributingParticles )

◆ KIM_ModelDriverCreate_SetParameterPointerDouble()

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.

See also
KIM::ModelDriverCreate::SetParameterPointer, kim_model_driver_create_module::kim_set_parameter_pointer
Since
2.0

◆ KIM_ModelDriverCreate_SetParameterPointerInteger()

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.

See also
KIM::ModelDriverCreate::SetParameterPointer, kim_model_driver_create_module::kim_set_parameter_pointer
Since
2.0

◆ KIM_ModelDriverCreate_SetRoutinePointer()

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.

See also
KIM::ModelDriverCreate::SetRoutinePointer, kim_model_driver_create_module::kim_set_routine_pointer
Since
2.0

◆ KIM_ModelDriverCreate_SetSpeciesCode()

int KIM_ModelDriverCreate_SetSpeciesCode ( KIM_ModelDriverCreate *const modelDriverCreate,
KIM_SpeciesName const speciesName,
int const code )

Set integer code for supported SpeciesName.

See also
KIM::ModelDriverCreate::SetSpeciesCode, kim_model_driver_create_module::kim_set_species_code
Since
2.0

◆ KIM_ModelDriverCreate_SetUnits()

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.

See also
KIM::ModelDriverCreate::SetUnits, kim_model_driver_create_module::kim_set_units
Since
2.0

◆ KIM_ModelDriverCreate_ToString()

char const * KIM_ModelDriverCreate_ToString ( KIM_ModelDriverCreate const *const modelDriverCreate)

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

See also
KIM::ModelDriverCreate::ToString, kim_model_driver_create_module::kim_to_string
Since
2.0