KIM API V2
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#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) |
#define KIM_ARGUMENT_NAME_DEFINED_ |
Definition at line 95 of file KIM_ModelCreate.h.
#define KIM_CALLBACK_NAME_DEFINED_ |
Definition at line 100 of file KIM_ModelCreate.h.
#define KIM_CHARGE_UNIT_DEFINED_ |
Definition at line 75 of file KIM_ModelCreate.h.
#define KIM_ENERGY_UNIT_DEFINED_ |
Definition at line 70 of file KIM_ModelCreate.h.
#define KIM_LANGUAGE_NAME_DEFINED_ |
Definition at line 55 of file KIM_ModelCreate.h.
#define KIM_LENGTH_UNIT_DEFINED_ |
Definition at line 65 of file KIM_ModelCreate.h.
#define KIM_LOG_VERBOSITY_DEFINED_ |
Definition at line 45 of file KIM_ModelCreate.h.
#define KIM_MODEL_CREATE_DEFINED_ |
Definition at line 108 of file KIM_ModelCreate.h.
#define KIM_NUMBERING_DEFINED_ |
Definition at line 60 of file KIM_ModelCreate.h.
#define KIM_SPECIES_NAME_DEFINED_ |
Definition at line 50 of file KIM_ModelCreate.h.
#define KIM_SUPPORT_STATUS_DEFINED_ |
Definition at line 90 of file KIM_ModelCreate.h.
#define KIM_TEMPERATURE_UNIT_DEFINED_ |
Definition at line 80 of file KIM_ModelCreate.h.
#define KIM_TIME_UNIT_DEFINED_ |
Definition at line 85 of file KIM_ModelCreate.h.
typedef struct KIM_ArgumentName KIM_ArgumentName |
Definition at line 96 of file KIM_ModelCreate.h.
typedef struct KIM_CallbackName KIM_CallbackName |
Definition at line 101 of file KIM_ModelCreate.h.
typedef struct KIM_ChargeUnit KIM_ChargeUnit |
Definition at line 76 of file KIM_ModelCreate.h.
typedef struct KIM_EnergyUnit KIM_EnergyUnit |
Definition at line 71 of file KIM_ModelCreate.h.
typedef struct KIM_LanguageName KIM_LanguageName |
Definition at line 56 of file KIM_ModelCreate.h.
typedef struct KIM_LengthUnit KIM_LengthUnit |
Definition at line 66 of file KIM_ModelCreate.h.
typedef struct KIM_LogVerbosity KIM_LogVerbosity |
Definition at line 46 of file KIM_ModelCreate.h.
typedef struct KIM_ModelCreate KIM_ModelCreate |
Definition at line 109 of file KIM_ModelCreate.h.
typedef struct KIM_Numbering KIM_Numbering |
Definition at line 61 of file KIM_ModelCreate.h.
typedef struct KIM_SpeciesName KIM_SpeciesName |
Definition at line 51 of file KIM_ModelCreate.h.
typedef struct KIM_SupportStatus KIM_SupportStatus |
Definition at line 91 of file KIM_ModelCreate.h.
typedef struct KIM_TemperatureUnit KIM_TemperatureUnit |
Definition at line 81 of file KIM_ModelCreate.h.
typedef struct KIM_TimeUnit KIM_TimeUnit |
Definition at line 86 of file KIM_ModelCreate.h.
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 | ||
) |
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_SetComputePointer | ( | 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 | ||
) |
void KIM_ModelCreate_SetInfluenceDistancePointer | ( | KIM_ModelCreate *const | modelCreate, |
double *const | influenceDistance | ||
) |
void KIM_ModelCreate_SetModelBufferPointer | ( | KIM_ModelCreate *const | modelCreate, |
void *const | ptr | ||
) |
int KIM_ModelCreate_SetModelNumbering | ( | KIM_ModelCreate *const | modelCreate, |
KIM_Numbering const | numbering | ||
) |
void KIM_ModelCreate_SetNeighborListCutoffsPointer | ( | KIM_ModelCreate *const | modelCreate, |
int const | numberOfCutoffs, | ||
double const *const | cutoffs | ||
) |
int KIM_ModelCreate_SetParameterPointerDouble | ( | KIM_ModelCreate *const | modelCreate, |
int const | extent, | ||
double *const | ptr, | ||
char const *const | description | ||
) |
int KIM_ModelCreate_SetParameterPointerInteger | ( | KIM_ModelCreate *const | modelCreate, |
int const | extent, | ||
int *const | ptr, | ||
char const *const | description | ||
) |
int KIM_ModelCreate_SetRefreshPointer | ( | 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_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 | ||
) |
char const* const KIM_ModelCreate_String | ( | KIM_ModelCreate const *const | modelCreate | ) |