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_DATA_TYPE_DEFINED_ |
#define | KIM_ENERGY_UNIT_DEFINED_ |
#define | KIM_CHARGE_UNIT_DEFINED_ |
#define | KIM_TEMPERATURE_UNIT_DEFINED_ |
#define | KIM_TIME_UNIT_DEFINED_ |
#define | KIM_ARGUMENT_NAME_DEFINED_ |
#define | KIM_CALLBACK_NAME_DEFINED_ |
#define | KIM_SUPPORT_STATUS_DEFINED_ |
#define | KIM_MODEL_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_DataType | KIM_DataType |
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_ArgumentName | KIM_ArgumentName |
typedef struct KIM_CallbackName | KIM_CallbackName |
typedef struct KIM_SupportStatus | KIM_SupportStatus |
typedef struct KIM_Model | KIM_Model |
Functions | |
int | KIM_Model_Create (KIM_Numbering const numbering, KIM_LengthUnit const requestedLengthUnit, KIM_EnergyUnit const requestedEnergyUnit, KIM_ChargeUnit const requestedChargeUnit, KIM_TemperatureUnit const requestedTemperatureUnit, KIM_TimeUnit const requestedTimeUnit, char const *const modelName, int *const requestedUnitsAccepted, KIM_Model **const model) |
void | KIM_Model_Destroy (KIM_Model **const model) |
void | KIM_Model_GetInfluenceDistance (KIM_Model const *const model, double *const influenceDistance) |
void | KIM_Model_GetNeighborListCutoffsPointer (KIM_Model const *const model, int *const numberOfCutoffs, double const **const cutoffs) |
int | KIM_Model_GetArgumentSupportStatus (KIM_Model const *const model, KIM_ArgumentName const argumentName, KIM_SupportStatus *const supportStatus) |
int | KIM_Model_GetCallbackSupportStatus (KIM_Model const *const model, KIM_CallbackName const callbackName, KIM_SupportStatus *const supportStatus) |
void | KIM_Model_GetUnits (KIM_Model const *const model, KIM_LengthUnit *const lengthUnit, KIM_EnergyUnit *const energyUnit, KIM_ChargeUnit *const chargeUnit, KIM_TemperatureUnit *const temperatureUnit, KIM_TimeUnit *const timeUnit) |
int | KIM_Model_SetArgumentPointerInteger (KIM_Model *const model, KIM_ArgumentName const argumentName, int const *const ptr) |
int | KIM_Model_SetArgumentPointerDouble (KIM_Model *const model, KIM_ArgumentName const argumentName, double const *const ptr) |
int | KIM_Model_SetCallbackPointer (KIM_Model *const model, KIM_CallbackName const callbackName, KIM_LanguageName const languageName, func *const fptr, void const *const dataObject) |
int | KIM_Model_Compute (KIM_Model const *const model) |
int | KIM_Model_ClearInfluenceDistanceAndCutoffsThenRefreshModel (KIM_Model *const model) |
int | KIM_Model_GetSpeciesSupportAndCode (KIM_Model const *const model, KIM_SpeciesName const speciesName, int *const speciesIsSupported, int *const code) |
void | KIM_Model_GetNumberOfParameters (KIM_Model const *const model, int *const numberOfParameters) |
int | KIM_Model_GetParameterDataTypeExtentAndDescription (KIM_Model const *const model, int const parameterIndex, KIM_DataType *const dataType, int *const extent, char const **const description) |
int | KIM_Model_GetParameterInteger (KIM_Model const *const model, int const parameterIndex, int const arrayIndex, int *const parameterValue) |
int | KIM_Model_GetParameterDouble (KIM_Model const *const model, int const parameterIndex, int const arrayIndex, double *const parameterValue) |
int | KIM_Model_SetParameterInteger (KIM_Model *const model, int const parameterIndex, int const arrayIndex, int const parameterValue) |
int | KIM_Model_SetParameterDouble (KIM_Model *const model, int const parameterIndex, int const arrayIndex, double const parameterValue) |
void | KIM_Model_SetSimulatorBufferPointer (KIM_Model *const model, void *const ptr) |
void | KIM_Model_GetSimulatorBufferPointer (KIM_Model const *const model, void **const ptr) |
char const *const | KIM_Model_String (KIM_Model const *const model) |
void | KIM_Model_SetLogID (KIM_Model *const model, char const *const logID) |
void | KIM_Model_PushLogVerbosity (KIM_Model *const model, KIM_LogVerbosity const logVerbosity) |
void | KIM_Model_PopLogVerbosity (KIM_Model *const model) |
#define KIM_ARGUMENT_NAME_DEFINED_ |
Definition at line 95 of file KIM_Model.h.
#define KIM_CALLBACK_NAME_DEFINED_ |
Definition at line 100 of file KIM_Model.h.
#define KIM_CHARGE_UNIT_DEFINED_ |
Definition at line 80 of file KIM_Model.h.
#define KIM_DATA_TYPE_DEFINED_ |
Definition at line 70 of file KIM_Model.h.
#define KIM_ENERGY_UNIT_DEFINED_ |
Definition at line 75 of file KIM_Model.h.
#define KIM_LANGUAGE_NAME_DEFINED_ |
Definition at line 55 of file KIM_Model.h.
#define KIM_LENGTH_UNIT_DEFINED_ |
Definition at line 65 of file KIM_Model.h.
#define KIM_LOG_VERBOSITY_DEFINED_ |
Definition at line 45 of file KIM_Model.h.
#define KIM_MODEL_DEFINED_ |
Definition at line 113 of file KIM_Model.h.
#define KIM_NUMBERING_DEFINED_ |
Definition at line 60 of file KIM_Model.h.
#define KIM_SPECIES_NAME_DEFINED_ |
Definition at line 50 of file KIM_Model.h.
#define KIM_SUPPORT_STATUS_DEFINED_ |
Definition at line 105 of file KIM_Model.h.
#define KIM_TEMPERATURE_UNIT_DEFINED_ |
Definition at line 85 of file KIM_Model.h.
#define KIM_TIME_UNIT_DEFINED_ |
Definition at line 90 of file KIM_Model.h.
typedef struct KIM_ArgumentName KIM_ArgumentName |
Definition at line 96 of file KIM_Model.h.
typedef struct KIM_CallbackName KIM_CallbackName |
Definition at line 101 of file KIM_Model.h.
typedef struct KIM_ChargeUnit KIM_ChargeUnit |
Definition at line 81 of file KIM_Model.h.
typedef struct KIM_DataType KIM_DataType |
Definition at line 71 of file KIM_Model.h.
typedef struct KIM_EnergyUnit KIM_EnergyUnit |
Definition at line 76 of file KIM_Model.h.
typedef struct KIM_LanguageName KIM_LanguageName |
Definition at line 56 of file KIM_Model.h.
typedef struct KIM_LengthUnit KIM_LengthUnit |
Definition at line 66 of file KIM_Model.h.
typedef struct KIM_LogVerbosity KIM_LogVerbosity |
Definition at line 46 of file KIM_Model.h.
Definition at line 114 of file KIM_Model.h.
typedef struct KIM_Numbering KIM_Numbering |
Definition at line 61 of file KIM_Model.h.
typedef struct KIM_SpeciesName KIM_SpeciesName |
Definition at line 51 of file KIM_Model.h.
typedef struct KIM_SupportStatus KIM_SupportStatus |
Definition at line 106 of file KIM_Model.h.
typedef struct KIM_TemperatureUnit KIM_TemperatureUnit |
Definition at line 86 of file KIM_Model.h.
typedef struct KIM_TimeUnit KIM_TimeUnit |
Definition at line 91 of file KIM_Model.h.
int KIM_Model_ClearInfluenceDistanceAndCutoffsThenRefreshModel | ( | KIM_Model *const | model | ) |
int KIM_Model_Compute | ( | KIM_Model const *const | model | ) |
int KIM_Model_Create | ( | KIM_Numbering const | numbering, |
KIM_LengthUnit const | requestedLengthUnit, | ||
KIM_EnergyUnit const | requestedEnergyUnit, | ||
KIM_ChargeUnit const | requestedChargeUnit, | ||
KIM_TemperatureUnit const | requestedTemperatureUnit, | ||
KIM_TimeUnit const | requestedTimeUnit, | ||
char const *const | modelName, | ||
int *const | requestedUnitsAccepted, | ||
KIM_Model **const | model | ||
) |
void KIM_Model_Destroy | ( | KIM_Model **const | model | ) |
int KIM_Model_GetArgumentSupportStatus | ( | KIM_Model const *const | model, |
KIM_ArgumentName const | argumentName, | ||
KIM_SupportStatus *const | supportStatus | ||
) |
int KIM_Model_GetCallbackSupportStatus | ( | KIM_Model const *const | model, |
KIM_CallbackName const | callbackName, | ||
KIM_SupportStatus *const | supportStatus | ||
) |
void KIM_Model_GetInfluenceDistance | ( | KIM_Model const *const | model, |
double *const | influenceDistance | ||
) |
void KIM_Model_GetNeighborListCutoffsPointer | ( | KIM_Model const *const | model, |
int *const | numberOfCutoffs, | ||
double const **const | cutoffs | ||
) |
void KIM_Model_GetNumberOfParameters | ( | KIM_Model const *const | model, |
int *const | numberOfParameters | ||
) |
int KIM_Model_GetParameterDataTypeExtentAndDescription | ( | KIM_Model const *const | model, |
int const | parameterIndex, | ||
KIM_DataType *const | dataType, | ||
int *const | extent, | ||
char const **const | description | ||
) |
int KIM_Model_GetParameterDouble | ( | KIM_Model const *const | model, |
int const | parameterIndex, | ||
int const | arrayIndex, | ||
double *const | parameterValue | ||
) |
int KIM_Model_GetParameterInteger | ( | KIM_Model const *const | model, |
int const | parameterIndex, | ||
int const | arrayIndex, | ||
int *const | parameterValue | ||
) |
void KIM_Model_GetSimulatorBufferPointer | ( | KIM_Model const *const | model, |
void **const | ptr | ||
) |
int KIM_Model_GetSpeciesSupportAndCode | ( | KIM_Model const *const | model, |
KIM_SpeciesName const | speciesName, | ||
int *const | speciesIsSupported, | ||
int *const | code | ||
) |
void KIM_Model_GetUnits | ( | KIM_Model const *const | model, |
KIM_LengthUnit *const | lengthUnit, | ||
KIM_EnergyUnit *const | energyUnit, | ||
KIM_ChargeUnit *const | chargeUnit, | ||
KIM_TemperatureUnit *const | temperatureUnit, | ||
KIM_TimeUnit *const | timeUnit | ||
) |
void KIM_Model_PopLogVerbosity | ( | KIM_Model *const | model | ) |
void KIM_Model_PushLogVerbosity | ( | KIM_Model *const | model, |
KIM_LogVerbosity const | logVerbosity | ||
) |
int KIM_Model_SetArgumentPointerDouble | ( | KIM_Model *const | model, |
KIM_ArgumentName const | argumentName, | ||
double const *const | ptr | ||
) |
int KIM_Model_SetArgumentPointerInteger | ( | KIM_Model *const | model, |
KIM_ArgumentName const | argumentName, | ||
int const *const | ptr | ||
) |
int KIM_Model_SetCallbackPointer | ( | KIM_Model *const | model, |
KIM_CallbackName const | callbackName, | ||
KIM_LanguageName const | languageName, | ||
func *const | fptr, | ||
void const *const | dataObject | ||
) |
void KIM_Model_SetLogID | ( | KIM_Model *const | model, |
char const *const | logID | ||
) |
int KIM_Model_SetParameterDouble | ( | KIM_Model *const | model, |
int const | parameterIndex, | ||
int const | arrayIndex, | ||
double const | parameterValue | ||
) |
int KIM_Model_SetParameterInteger | ( | KIM_Model *const | model, |
int const | parameterIndex, | ||
int const | arrayIndex, | ||
int const | parameterValue | ||
) |
void KIM_Model_SetSimulatorBufferPointer | ( | KIM_Model *const | model, |
void *const | ptr | ||
) |
char const* const KIM_Model_String | ( | KIM_Model const *const | model | ) |