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

Go to the source code of this file.

Macros

#define KIM_LOG_VERBOSITY_DEFINED_
 
#define KIM_SPECIES_NAME_DEFINED_
 
#define KIM_LANGUAGE_NAME_DEFINED_
 
#define KIM_NUMBERING_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_SUPPORT_STATUS_DEFINED_
 
#define KIM_ARGUMENT_NAME_DEFINED_
 
#define KIM_CALLBACK_NAME_DEFINED_
 
#define KIM_MODEL_CREATE_DEFINED_
 

Typedefs

typedef struct KIM_LogVerbosity KIM_LogVerbosity
 
typedef struct KIM_SpeciesName KIM_SpeciesName
 
typedef struct KIM_LanguageName KIM_LanguageName
 
typedef struct KIM_Numbering KIM_Numbering
 
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_SupportStatus KIM_SupportStatus
 
typedef struct KIM_ArgumentName KIM_ArgumentName
 
typedef struct KIM_CallbackName KIM_CallbackName
 
typedef struct KIM_ModelCreate KIM_ModelCreate
 

Functions

int KIM_ModelCreate_SetModelNumbering (KIM_ModelCreate *const modelCreate, KIM_Numbering const numbering)
 
void KIM_ModelCreate_SetInfluenceDistancePointer (KIM_ModelCreate *const modelCreate, double *const influenceDistance)
 
void KIM_ModelCreate_SetNeighborListCutoffsPointer (KIM_ModelCreate *const modelCreate, int const numberOfCutoffs, double const *const cutoffs)
 
int KIM_ModelCreate_SetRefreshPointer (KIM_ModelCreate *const modelCreate, KIM_LanguageName const languageName, func *const fptr)
 
int KIM_ModelCreate_SetDestroyPointer (KIM_ModelCreate *const modelCreate, KIM_LanguageName const languageName, func *const fptr)
 
int KIM_ModelCreate_SetComputePointer (KIM_ModelCreate *const modelCreate, KIM_LanguageName const languageName, func *const fptr)
 
int KIM_ModelCreate_SetSpeciesCode (KIM_ModelCreate *const modelCreate, KIM_SpeciesName const speciesName, int const code)
 
int KIM_ModelCreate_SetArgumentSupportStatus (KIM_ModelCreate *const modelCreate, KIM_ArgumentName const argumentName, KIM_SupportStatus const supportStatus)
 
int KIM_ModelCreate_SetCallbackSupportStatus (KIM_ModelCreate *const modelCreate, KIM_CallbackName const callbackName, KIM_SupportStatus const supportStatus)
 
int KIM_ModelCreate_SetParameterPointerInteger (KIM_ModelCreate *const modelCreate, int const extent, int *const ptr, char const *const description)
 
int KIM_ModelCreate_SetParameterPointerDouble (KIM_ModelCreate *const modelCreate, int const extent, double *const ptr, char const *const description)
 
void KIM_ModelCreate_SetModelBufferPointer (KIM_ModelCreate *const modelCreate, void *const ptr)
 
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)
 
int KIM_ModelCreate_ConvertUnit (KIM_ModelCreate const *const modelCreate, 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_ModelCreate_LogEntry (KIM_ModelCreate const *const modelCreate, KIM_LogVerbosity const logVerbosity, char const *const message, int const lineNumber, char const *const fileName)
 
char const *const KIM_ModelCreate_String (KIM_ModelCreate const *const modelCreate)
 

Macro Definition Documentation

◆ KIM_ARGUMENT_NAME_DEFINED_

#define KIM_ARGUMENT_NAME_DEFINED_

Definition at line 95 of file KIM_ModelCreate.h.

◆ KIM_CALLBACK_NAME_DEFINED_

#define KIM_CALLBACK_NAME_DEFINED_

Definition at line 100 of file KIM_ModelCreate.h.

◆ KIM_CHARGE_UNIT_DEFINED_

#define KIM_CHARGE_UNIT_DEFINED_

Definition at line 75 of file KIM_ModelCreate.h.

◆ KIM_ENERGY_UNIT_DEFINED_

#define KIM_ENERGY_UNIT_DEFINED_

Definition at line 70 of file KIM_ModelCreate.h.

◆ KIM_LANGUAGE_NAME_DEFINED_

#define KIM_LANGUAGE_NAME_DEFINED_

Definition at line 55 of file KIM_ModelCreate.h.

◆ KIM_LENGTH_UNIT_DEFINED_

#define KIM_LENGTH_UNIT_DEFINED_

Definition at line 65 of file KIM_ModelCreate.h.

◆ KIM_LOG_VERBOSITY_DEFINED_

#define KIM_LOG_VERBOSITY_DEFINED_

Definition at line 45 of file KIM_ModelCreate.h.

◆ KIM_MODEL_CREATE_DEFINED_

#define KIM_MODEL_CREATE_DEFINED_

Definition at line 108 of file KIM_ModelCreate.h.

◆ KIM_NUMBERING_DEFINED_

#define KIM_NUMBERING_DEFINED_

Definition at line 60 of file KIM_ModelCreate.h.

◆ KIM_SPECIES_NAME_DEFINED_

#define KIM_SPECIES_NAME_DEFINED_

Definition at line 50 of file KIM_ModelCreate.h.

◆ KIM_SUPPORT_STATUS_DEFINED_

#define KIM_SUPPORT_STATUS_DEFINED_

Definition at line 90 of file KIM_ModelCreate.h.

◆ KIM_TEMPERATURE_UNIT_DEFINED_

#define KIM_TEMPERATURE_UNIT_DEFINED_

Definition at line 80 of file KIM_ModelCreate.h.

◆ KIM_TIME_UNIT_DEFINED_

#define KIM_TIME_UNIT_DEFINED_

Definition at line 85 of file KIM_ModelCreate.h.

Typedef Documentation

◆ KIM_ArgumentName

Definition at line 96 of file KIM_ModelCreate.h.

◆ KIM_CallbackName

Definition at line 101 of file KIM_ModelCreate.h.

◆ KIM_ChargeUnit

Definition at line 76 of file KIM_ModelCreate.h.

◆ KIM_EnergyUnit

Definition at line 71 of file KIM_ModelCreate.h.

◆ KIM_LanguageName

Definition at line 56 of file KIM_ModelCreate.h.

◆ KIM_LengthUnit

Definition at line 66 of file KIM_ModelCreate.h.

◆ KIM_LogVerbosity

Definition at line 46 of file KIM_ModelCreate.h.

◆ KIM_ModelCreate

Definition at line 109 of file KIM_ModelCreate.h.

◆ KIM_Numbering

typedef struct KIM_Numbering KIM_Numbering

Definition at line 61 of file KIM_ModelCreate.h.

◆ KIM_SpeciesName

Definition at line 51 of file KIM_ModelCreate.h.

◆ KIM_SupportStatus

Definition at line 91 of file KIM_ModelCreate.h.

◆ KIM_TemperatureUnit

Definition at line 81 of file KIM_ModelCreate.h.

◆ KIM_TimeUnit

typedef struct KIM_TimeUnit KIM_TimeUnit

Definition at line 86 of file KIM_ModelCreate.h.

Function Documentation

◆ KIM_ModelCreate_ConvertUnit()

int KIM_ModelCreate_ConvertUnit ( KIM_ModelCreate const *const  modelCreate,
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_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 
)

◆ KIM_ModelCreate_SetArgumentSupportStatus()

int KIM_ModelCreate_SetArgumentSupportStatus ( KIM_ModelCreate *const  modelCreate,
KIM_ArgumentName const  argumentName,
KIM_SupportStatus const  supportStatus 
)

◆ KIM_ModelCreate_SetCallbackSupportStatus()

int KIM_ModelCreate_SetCallbackSupportStatus ( KIM_ModelCreate *const  modelCreate,
KIM_CallbackName const  callbackName,
KIM_SupportStatus const  supportStatus 
)

◆ KIM_ModelCreate_SetComputePointer()

int KIM_ModelCreate_SetComputePointer ( KIM_ModelCreate *const  modelCreate,
KIM_LanguageName const  languageName,
func *const  fptr 
)

◆ KIM_ModelCreate_SetDestroyPointer()

int KIM_ModelCreate_SetDestroyPointer ( KIM_ModelCreate *const  modelCreate,
KIM_LanguageName const  languageName,
func *const  fptr 
)

◆ KIM_ModelCreate_SetInfluenceDistancePointer()

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

◆ 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 
)

◆ KIM_ModelCreate_SetNeighborListCutoffsPointer()

void KIM_ModelCreate_SetNeighborListCutoffsPointer ( KIM_ModelCreate *const  modelCreate,
int const  numberOfCutoffs,
double const *const  cutoffs 
)

◆ KIM_ModelCreate_SetParameterPointerDouble()

int KIM_ModelCreate_SetParameterPointerDouble ( KIM_ModelCreate *const  modelCreate,
int const  extent,
double *const  ptr,
char const *const  description 
)

◆ KIM_ModelCreate_SetParameterPointerInteger()

int KIM_ModelCreate_SetParameterPointerInteger ( KIM_ModelCreate *const  modelCreate,
int const  extent,
int *const  ptr,
char const *const  description 
)

◆ KIM_ModelCreate_SetRefreshPointer()

int KIM_ModelCreate_SetRefreshPointer ( KIM_ModelCreate *const  modelCreate,
KIM_LanguageName const  languageName,
func *const  fptr 
)

◆ KIM_ModelCreate_SetSpeciesCode()

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

◆ 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 
)

◆ KIM_ModelCreate_String()

char const* const KIM_ModelCreate_String ( KIM_ModelCreate const *const  modelCreate)