#include "KIM_FunctionTypes.h"

Include dependency graph for KIM_ModelDriverCreate.h:

This graph shows which files directly or indirectly include this file:

Typedefs
typedef struct KIM_LogVerbosity	KIM_LogVerbosity
	Forward declaration. More...

typedef struct KIM_LanguageName	KIM_LanguageName
	Forward declaration. More...

typedef struct KIM_Numbering	KIM_Numbering
	Forward declaration. More...

typedef struct KIM_ModelRoutineName	KIM_ModelRoutineName
	Forward declaration. More...

typedef struct KIM_SpeciesName	KIM_SpeciesName
	Forward declaration. More...

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. More...

void	KIM_ModelDriverCreate_GetNumberOfParameterFiles (KIM_ModelDriverCreate const const modelDriverCreate, int const numberOfParameterFiles)
	Get the number of parameter files provided by the parameterized model. More...

int	KIM_ModelDriverCreate_GetParameterFileName (KIM_ModelDriverCreate const const modelDriverCreate, int const index, char const *const parameterFileName)
	Get a particular parameter file name. More...

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. More...

int	KIM_ModelDriverCreate_SetModelNumbering (KIM_ModelDriverCreate *const modelDriverCreate, KIM_Numbering const numbering)
	Set the Model's particle Numbering. More...

void	KIM_ModelDriverCreate_SetInfluenceDistancePointer (KIM_ModelDriverCreate const modelDriverCreate, double const const influenceDistance)
	Set the Model's influence distance data pointer. More...

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. More...

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. More...

int	KIM_ModelDriverCreate_SetSpeciesCode (KIM_ModelDriverCreate *const modelDriverCreate, KIM_SpeciesName const speciesName, int const code)
	Set integer code for supported SpeciesName. More...

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. More...

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. More...

void	KIM_ModelDriverCreate_SetModelBufferPointer (KIM_ModelDriverCreate const modelDriverCreate, void const ptr)
	Set the Model's buffer pointer within the Model object. More...

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. More...

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. More...

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. More...

char const *	KIM_ModelDriverCreate_ToString (KIM_ModelDriverCreate const *const modelDriverCreate)
	Get a string representing the internal state of the Model object. More...

Typedef Documentation

◆ KIM_LanguageName

typedef struct KIM_LanguageName KIM_LanguageName

Forward declaration.

Since: 2.0

Definition at line 56 of file KIM_ModelDriverCreate.h.

◆ KIM_LogVerbosity

typedef struct KIM_LogVerbosity KIM_LogVerbosity

Forward declaration.

Since: 2.0

Definition at line 46 of file KIM_ModelDriverCreate.h.

◆ KIM_ModelRoutineName

typedef struct KIM_ModelRoutineName KIM_ModelRoutineName

Forward declaration.

Since: 2.0

Definition at line 76 of file KIM_ModelDriverCreate.h.

◆ KIM_Numbering

typedef struct KIM_Numbering KIM_Numbering

Forward declaration.

Since: 2.0

Definition at line 66 of file KIM_ModelDriverCreate.h.

◆ KIM_SpeciesName

typedef struct KIM_SpeciesName KIM_SpeciesName

Forward declaration.

Since: 2.0

Definition at line 86 of file KIM_ModelDriverCreate.h.

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
	)

Get a particular parameter file name.

See also: KIM::ModelDriverCreate::GetParameterFileName, kim_model_driver_create_module::kim_get_parameter_file_name

Since: 2.0

Deprecated:: As of 2.2. Please use KIM_ModelDriverCreate_GetParameterFileBasename() instead.

◆ 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
	)

Set the Model's influence distance data pointer.

See also: KIM::ModelDriverCreate::SetInfluenceDistancePointer, kim_model_driver_create_module::kim_set_influence_distance_pointer

Since: 2.0

◆ KIM_ModelDriverCreate_SetModelBufferPointer()

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

Set the Model's buffer pointer within the Model object.

See also: KIM::ModelDriverCreate::SetModelBufferPointer, kim_model_driver_create_module::kim_set_model_buffer_pointer

Since: 2.0

◆ KIM_ModelDriverCreate_SetModelNumbering()

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

Set the Model's particle Numbering.

See also: KIM::ModelDriverCreate::SetModelNumbering, kim_model_driver_create_module::kim_set_model_numbering

Since: 2.0

◆ KIM_ModelDriverCreate_SetNeighborListPointers()

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.

See also: KIM::ModelDriverCreate::SetNeighborListPointers, kim_model_driver_create_module::kim_set_neighbor_list_pointers

Since: 2.0

◆ 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

Typedefs

Functions

Typedef Documentation

◆ KIM_LanguageName

◆ KIM_LogVerbosity

◆ KIM_ModelRoutineName

◆ KIM_Numbering

◆ KIM_SpeciesName

Function Documentation

◆ KIM_ModelDriverCreate_ConvertUnit()

◆ KIM_ModelDriverCreate_GetNumberOfParameterFiles()

◆ KIM_ModelDriverCreate_GetParameterFileBasename()

◆ KIM_ModelDriverCreate_GetParameterFileDirectoryName()

◆ KIM_ModelDriverCreate_GetParameterFileName()

◆ KIM_ModelDriverCreate_LogEntry()

◆ KIM_ModelDriverCreate_SetInfluenceDistancePointer()

◆ KIM_ModelDriverCreate_SetModelBufferPointer()

◆ KIM_ModelDriverCreate_SetModelNumbering()

◆ KIM_ModelDriverCreate_SetNeighborListPointers()

◆ KIM_ModelDriverCreate_SetParameterPointerDouble()

◆ KIM_ModelDriverCreate_SetParameterPointerInteger()

◆ KIM_ModelDriverCreate_SetRoutinePointer()

◆ KIM_ModelDriverCreate_SetSpeciesCode()

◆ KIM_ModelDriverCreate_SetUnits()

◆ KIM_ModelDriverCreate_ToString()