KIM API V2
Macros | Typedefs | Functions
KIM_ModelDriverCreate.h File Reference
#include "KIM_func.h"

Go to the source code of this file.

Macros

#define KIM_LOG_VERBOSITY_DEFINED_
 
#define KIM_LANGUAGE_NAME_DEFINED_
 
#define KIM_NUMBERING_DEFINED_
 
#define KIM_SPECIES_NAME_DEFINED_
 
#define KIM_SUPPORT_STATUS_DEFINED_
 
#define KIM_LENGTH_UNIT_DEFINED_
 
#define KIM_ENERGY_UNIT_DEFINED_
 
#define KIM_CHARGE_UNIT_DEFINED_
 
#define KIM_TEMPERATURE_UNIT_DEFINED_
 
#define KIM_TIME_UNIT_DEFINED_
 
#define KIM_MODEL_DRIVER_CREATE_DEFINED_
 

Typedefs

typedef struct KIM_LogVerbosity KIM_LogVerbosity
 
typedef struct KIM_LanguageName KIM_LanguageName
 
typedef struct KIM_Numbering KIM_Numbering
 
typedef struct KIM_SpeciesName KIM_SpeciesName
 
typedef struct KIM_SupportStatus KIM_SupportStatus
 
typedef struct KIM_LengthUnit KIM_LengthUnit
 
typedef struct KIM_EnergyUnit KIM_EnergyUnit
 
typedef struct KIM_ChargeUnit KIM_ChargeUnit
 
typedef struct KIM_TemperatureUnit KIM_TemperatureUnit
 
typedef struct KIM_TimeUnit KIM_TimeUnit
 
typedef struct KIM_ModelDriverCreate KIM_ModelDriverCreate
 

Functions

void KIM_ModelDriverCreate_GetNumberOfParameterFiles (KIM_ModelDriverCreate *const modelDriverCreate, int *const numberOfParameterFiles)
 
int KIM_ModelDriverCreate_GetParameterFileName (KIM_ModelDriverCreate *const modelDriverCreate, int const index, char const **const parameterFileName)
 
int KIM_ModelDriverCreate_SetModelNumbering (KIM_ModelDriverCreate *const modelDriverCreate, KIM_Numbering const numbering)
 
void KIM_ModelDriverCreate_SetInfluenceDistancePointer (KIM_ModelDriverCreate *const modelDriverCreate, double *const influenceDistance)
 
void KIM_ModelDriverCreate_SetNeighborListPointers (KIM_ModelDriverCreate *const modelDriverCreate, int const numberOfNeighborLists, double const *const cutoffs, int const *const paddingNeighborHints, int const *const halfListHints)
 
int KIM_ModelDriverCreate_SetRefreshPointer (KIM_ModelDriverCreate *const modelDriverCreate, KIM_LanguageName const languageName, func *const fptr)
 
int KIM_ModelDriverCreate_SetDestroyPointer (KIM_ModelDriverCreate *const modelDriverCreate, KIM_LanguageName const languageName, func *const fptr)
 
int KIM_ModelDriverCreate_SetComputeArgumentsCreatePointer (KIM_ModelDriverCreate *const modelDriverCreate, KIM_LanguageName const languageName, func *const fptr)
 
int KIM_ModelDriverCreate_SetComputeArgumentsDestroyPointer (KIM_ModelDriverCreate *const modelDriverCreate, KIM_LanguageName const languageName, func *const fptr)
 
int KIM_ModelDriverCreate_SetComputePointer (KIM_ModelDriverCreate *const modelDriverCreate, KIM_LanguageName const languageName, func *const fptr)
 
int KIM_ModelDriverCreate_SetSpeciesCode (KIM_ModelDriverCreate *const modelDriverCreate, KIM_SpeciesName const speciesName, int const code)
 
int KIM_ModelDriverCreate_SetParameterPointerInteger (KIM_ModelDriverCreate *const modelDriverCreate, int const extent, int *const ptr, char const *const description)
 
int KIM_ModelDriverCreate_SetParameterPointerDouble (KIM_ModelDriverCreate *const modelDriverCreate, int const extent, double *const ptr, char const *const description)
 
void KIM_ModelDriverCreate_SetModelBufferPointer (KIM_ModelDriverCreate *const modelDriverCreate, void *const ptr)
 
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)
 
int KIM_ModelDriverCreate_ConvertUnit (KIM_ModelDriverCreate const *const modelDriverCreate, 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)
 
void KIM_ModelDriverCreate_LogEntry (KIM_ModelDriverCreate const *const modelDriverCreate, KIM_LogVerbosity const logVerbosity, char const *const message, int const lineNumber, char const *const fileName)
 
char const *const KIM_ModelDriverCreate_String (KIM_ModelDriverCreate const *const modelDriverCreate)
 

Macro Definition Documentation

◆ KIM_CHARGE_UNIT_DEFINED_

#define KIM_CHARGE_UNIT_DEFINED_

Definition at line 80 of file KIM_ModelDriverCreate.h.

◆ KIM_ENERGY_UNIT_DEFINED_

#define KIM_ENERGY_UNIT_DEFINED_

Definition at line 75 of file KIM_ModelDriverCreate.h.

◆ KIM_LANGUAGE_NAME_DEFINED_

#define KIM_LANGUAGE_NAME_DEFINED_

Definition at line 50 of file KIM_ModelDriverCreate.h.

◆ KIM_LENGTH_UNIT_DEFINED_

#define KIM_LENGTH_UNIT_DEFINED_

Definition at line 70 of file KIM_ModelDriverCreate.h.

◆ KIM_LOG_VERBOSITY_DEFINED_

#define KIM_LOG_VERBOSITY_DEFINED_

Definition at line 45 of file KIM_ModelDriverCreate.h.

◆ KIM_MODEL_DRIVER_CREATE_DEFINED_

#define KIM_MODEL_DRIVER_CREATE_DEFINED_

Definition at line 98 of file KIM_ModelDriverCreate.h.

◆ KIM_NUMBERING_DEFINED_

#define KIM_NUMBERING_DEFINED_

Definition at line 55 of file KIM_ModelDriverCreate.h.

◆ KIM_SPECIES_NAME_DEFINED_

#define KIM_SPECIES_NAME_DEFINED_

Definition at line 60 of file KIM_ModelDriverCreate.h.

◆ KIM_SUPPORT_STATUS_DEFINED_

#define KIM_SUPPORT_STATUS_DEFINED_

Definition at line 65 of file KIM_ModelDriverCreate.h.

◆ KIM_TEMPERATURE_UNIT_DEFINED_

#define KIM_TEMPERATURE_UNIT_DEFINED_

Definition at line 85 of file KIM_ModelDriverCreate.h.

◆ KIM_TIME_UNIT_DEFINED_

#define KIM_TIME_UNIT_DEFINED_

Definition at line 90 of file KIM_ModelDriverCreate.h.

Typedef Documentation

◆ KIM_ChargeUnit

Definition at line 81 of file KIM_ModelDriverCreate.h.

◆ KIM_EnergyUnit

Definition at line 76 of file KIM_ModelDriverCreate.h.

◆ KIM_LanguageName

Definition at line 51 of file KIM_ModelDriverCreate.h.

◆ KIM_LengthUnit

Definition at line 71 of file KIM_ModelDriverCreate.h.

◆ KIM_LogVerbosity

Definition at line 46 of file KIM_ModelDriverCreate.h.

◆ KIM_ModelDriverCreate

Definition at line 99 of file KIM_ModelDriverCreate.h.

◆ KIM_Numbering

typedef struct KIM_Numbering KIM_Numbering

Definition at line 56 of file KIM_ModelDriverCreate.h.

◆ KIM_SpeciesName

Definition at line 61 of file KIM_ModelDriverCreate.h.

◆ KIM_SupportStatus

Definition at line 66 of file KIM_ModelDriverCreate.h.

◆ KIM_TemperatureUnit

Definition at line 86 of file KIM_ModelDriverCreate.h.

◆ KIM_TimeUnit

typedef struct KIM_TimeUnit KIM_TimeUnit

Definition at line 91 of file KIM_ModelDriverCreate.h.

Function Documentation

◆ KIM_ModelDriverCreate_ConvertUnit()

int KIM_ModelDriverCreate_ConvertUnit ( KIM_ModelDriverCreate const *const  modelDriverCreate,
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 
)

◆ KIM_ModelDriverCreate_GetNumberOfParameterFiles()

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

◆ KIM_ModelDriverCreate_GetParameterFileName()

int KIM_ModelDriverCreate_GetParameterFileName ( KIM_ModelDriverCreate *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 
)

◆ KIM_ModelDriverCreate_SetComputeArgumentsCreatePointer()

int KIM_ModelDriverCreate_SetComputeArgumentsCreatePointer ( KIM_ModelDriverCreate *const  modelDriverCreate,
KIM_LanguageName const  languageName,
func *const  fptr 
)

◆ KIM_ModelDriverCreate_SetComputeArgumentsDestroyPointer()

int KIM_ModelDriverCreate_SetComputeArgumentsDestroyPointer ( KIM_ModelDriverCreate *const  modelDriverCreate,
KIM_LanguageName const  languageName,
func *const  fptr 
)

◆ KIM_ModelDriverCreate_SetComputePointer()

int KIM_ModelDriverCreate_SetComputePointer ( KIM_ModelDriverCreate *const  modelDriverCreate,
KIM_LanguageName const  languageName,
func *const  fptr 
)

◆ KIM_ModelDriverCreate_SetDestroyPointer()

int KIM_ModelDriverCreate_SetDestroyPointer ( KIM_ModelDriverCreate *const  modelDriverCreate,
KIM_LanguageName const  languageName,
func *const  fptr 
)

◆ KIM_ModelDriverCreate_SetInfluenceDistancePointer()

void KIM_ModelDriverCreate_SetInfluenceDistancePointer ( KIM_ModelDriverCreate *const  modelDriverCreate,
double *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  paddingNeighborHints,
int const *const  halfListHints 
)

◆ KIM_ModelDriverCreate_SetParameterPointerDouble()

int KIM_ModelDriverCreate_SetParameterPointerDouble ( KIM_ModelDriverCreate *const  modelDriverCreate,
int const  extent,
double *const  ptr,
char const *const  description 
)

◆ KIM_ModelDriverCreate_SetParameterPointerInteger()

int KIM_ModelDriverCreate_SetParameterPointerInteger ( KIM_ModelDriverCreate *const  modelDriverCreate,
int const  extent,
int *const  ptr,
char const *const  description 
)

◆ KIM_ModelDriverCreate_SetRefreshPointer()

int KIM_ModelDriverCreate_SetRefreshPointer ( KIM_ModelDriverCreate *const  modelDriverCreate,
KIM_LanguageName const  languageName,
func *const  fptr 
)

◆ KIM_ModelDriverCreate_SetSpeciesCode()

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

◆ 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 
)

◆ KIM_ModelDriverCreate_String()

char const* const KIM_ModelDriverCreate_String ( KIM_ModelDriverCreate const *const  modelDriverCreate)