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_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) |
#define KIM_CHARGE_UNIT_DEFINED_ |
Definition at line 80 of file KIM_ModelDriverCreate.h.
#define KIM_ENERGY_UNIT_DEFINED_ |
Definition at line 75 of file KIM_ModelDriverCreate.h.
#define KIM_LANGUAGE_NAME_DEFINED_ |
Definition at line 50 of file KIM_ModelDriverCreate.h.
#define KIM_LENGTH_UNIT_DEFINED_ |
Definition at line 70 of file KIM_ModelDriverCreate.h.
#define KIM_LOG_VERBOSITY_DEFINED_ |
Definition at line 45 of file KIM_ModelDriverCreate.h.
#define KIM_MODEL_DRIVER_CREATE_DEFINED_ |
Definition at line 98 of file KIM_ModelDriverCreate.h.
#define KIM_NUMBERING_DEFINED_ |
Definition at line 55 of file KIM_ModelDriverCreate.h.
#define KIM_SPECIES_NAME_DEFINED_ |
Definition at line 60 of file KIM_ModelDriverCreate.h.
#define KIM_SUPPORT_STATUS_DEFINED_ |
Definition at line 65 of file KIM_ModelDriverCreate.h.
#define KIM_TEMPERATURE_UNIT_DEFINED_ |
Definition at line 85 of file KIM_ModelDriverCreate.h.
#define KIM_TIME_UNIT_DEFINED_ |
Definition at line 90 of file KIM_ModelDriverCreate.h.
typedef struct KIM_ChargeUnit KIM_ChargeUnit |
Definition at line 81 of file KIM_ModelDriverCreate.h.
typedef struct KIM_EnergyUnit KIM_EnergyUnit |
Definition at line 76 of file KIM_ModelDriverCreate.h.
typedef struct KIM_LanguageName KIM_LanguageName |
Definition at line 51 of file KIM_ModelDriverCreate.h.
typedef struct KIM_LengthUnit KIM_LengthUnit |
Definition at line 71 of file KIM_ModelDriverCreate.h.
typedef struct KIM_LogVerbosity KIM_LogVerbosity |
Definition at line 46 of file KIM_ModelDriverCreate.h.
typedef struct KIM_ModelDriverCreate KIM_ModelDriverCreate |
Definition at line 99 of file KIM_ModelDriverCreate.h.
typedef struct KIM_Numbering KIM_Numbering |
Definition at line 56 of file KIM_ModelDriverCreate.h.
typedef struct KIM_SpeciesName KIM_SpeciesName |
Definition at line 61 of file KIM_ModelDriverCreate.h.
typedef struct KIM_SupportStatus KIM_SupportStatus |
Definition at line 66 of file KIM_ModelDriverCreate.h.
typedef struct KIM_TemperatureUnit KIM_TemperatureUnit |
Definition at line 86 of file KIM_ModelDriverCreate.h.
typedef struct KIM_TimeUnit KIM_TimeUnit |
Definition at line 91 of file KIM_ModelDriverCreate.h.
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_GetNumberOfParameterFiles | ( | KIM_ModelDriverCreate *const | modelDriverCreate, |
int *const | numberOfParameterFiles | ||
) |
int KIM_ModelDriverCreate_GetParameterFileName | ( | KIM_ModelDriverCreate *const | modelDriverCreate, |
int const | index, | ||
char const **const | parameterFileName | ||
) |
void KIM_ModelDriverCreate_LogEntry | ( | KIM_ModelDriverCreate const *const | modelDriverCreate, |
KIM_LogVerbosity const | logVerbosity, | ||
char const *const | message, | ||
int const | lineNumber, | ||
char const *const | fileName | ||
) |
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_SetDestroyPointer | ( | KIM_ModelDriverCreate *const | modelDriverCreate, |
KIM_LanguageName const | languageName, | ||
func *const | fptr | ||
) |
void KIM_ModelDriverCreate_SetInfluenceDistancePointer | ( | KIM_ModelDriverCreate *const | modelDriverCreate, |
double *const | influenceDistance | ||
) |
void KIM_ModelDriverCreate_SetModelBufferPointer | ( | KIM_ModelDriverCreate *const | modelDriverCreate, |
void *const | ptr | ||
) |
int KIM_ModelDriverCreate_SetModelNumbering | ( | KIM_ModelDriverCreate *const | modelDriverCreate, |
KIM_Numbering const | numbering | ||
) |
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_SetParameterPointerDouble | ( | KIM_ModelDriverCreate *const | modelDriverCreate, |
int const | extent, | ||
double *const | ptr, | ||
char const *const | description | ||
) |
int KIM_ModelDriverCreate_SetParameterPointerInteger | ( | KIM_ModelDriverCreate *const | modelDriverCreate, |
int const | extent, | ||
int *const | ptr, | ||
char const *const | description | ||
) |
int KIM_ModelDriverCreate_SetRefreshPointer | ( | 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_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 | ||
) |
char const* const KIM_ModelDriverCreate_String | ( | KIM_ModelDriverCreate const *const | modelDriverCreate | ) |