KIM_ModelCreate.h File Reference

#include "KIM_FunctionTypes.h"

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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
int	KIM_ModelCreate_SetModelNumbering (KIM_ModelCreate *const modelCreate, KIM_Numbering const numbering)
	Set the Model's particle Numbering. More...
void	KIM_ModelCreate_SetInfluenceDistancePointer (KIM_ModelCreate *const modelCreate, double const *const influenceDistance)
	Set the Model's influence distance data pointer. More...
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. More...
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. More...
int	KIM_ModelCreate_SetSpeciesCode (KIM_ModelCreate *const modelCreate, KIM_SpeciesName const speciesName, int const code)
	Set integer code for supported SpeciesName. More...
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. More...
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. More...
void	KIM_ModelCreate_SetModelBufferPointer (KIM_ModelCreate *const modelCreate, void *const ptr)
	Set the Model's buffer pointer within the Model object. More...
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. More...
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. More...
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. More...
char const *	KIM_ModelCreate_ToString (KIM_ModelCreate const *const modelCreate)
	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_ModelCreate.h.

KIM_LogVerbosity

typedef struct KIM_LogVerbosity KIM_LogVerbosity

Forward declaration.

Since

2.0

Definition at line 46 of file KIM_ModelCreate.h.

KIM_ModelRoutineName

typedef struct KIM_ModelRoutineName KIM_ModelRoutineName

Forward declaration.

Since

2.0

Definition at line 76 of file KIM_ModelCreate.h.

KIM_Numbering

typedef struct KIM_Numbering KIM_Numbering

Forward declaration.

Since

2.0

Definition at line 66 of file KIM_ModelCreate.h.

KIM_SpeciesName

typedef struct KIM_SpeciesName KIM_SpeciesName

Forward declaration.

Since

2.0

Definition at line 86 of file KIM_ModelCreate.h.

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
	)

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

See also

KIM::ModelCreate::SetModelBufferPointer, kim_model_create_module::kim_set_model_buffer_pointer

Since

2.0

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