KIM API V2
Public Member Functions | Static Public Member Functions | List of all members
KIM::Model Class Reference

#include <KIM_Model.hpp>

Public Member Functions

void GetInfluenceDistance (double *const influenceDistance) const
 
void GetNeighborListCutoffsPointer (int *const numberOfCutoffs, double const **const cutoffs) const
 
void GetUnits (LengthUnit *const lengthUnit, EnergyUnit *const energyUnit, ChargeUnit *const chargeUnit, TemperatureUnit *const temperatureUnit, TimeUnit *const timeUnit) const
 
int ComputeArgumentsCreate (ComputeArguments **const computeArguments) const
 
int ComputeArgumentsDestroy (ComputeArguments **const computeArguments) const
 
int Compute (ComputeArguments const *const computeArguments) const
 
int ClearInfluenceDistanceAndCutoffsThenRefreshModel ()
 
int GetSpeciesSupportAndCode (SpeciesName const speciesName, int *const speciesIsSupported, int *const code) const
 
void GetNumberOfParameters (int *const numberOfParameters) const
 
int GetParameterDataTypeExtentAndDescription (int const index, DataType *const dataType, int *extent, std::string const **const description) const
 
int GetParameter (int const parameterIndex, int const arrayIndex, int *const parameterValue) const
 
int GetParameter (int const parameterIndex, int const arrayIndex, double *const parameterValue) const
 
int SetParameter (int const parameterIndex, int const arrayIndex, int const parameterValue)
 
int SetParameter (int const parameterIndex, int const arrayIndex, double const parameterValue)
 
void SetSimulatorBufferPointer (void *const ptr)
 
void GetSimulatorBufferPointer (void **const ptr) const
 
std::string const & String () const
 
void SetLogID (std::string const &logID)
 
void PushLogVerbosity (LogVerbosity const logVerbosity)
 
void PopLogVerbosity ()
 

Static Public Member Functions

static int Create (Numbering const numbering, LengthUnit const requestedLengthUnit, EnergyUnit const requestedEnergyUnit, ChargeUnit const requestedChargeUnit, TemperatureUnit const requestedTemperatureUnit, TimeUnit const requestedTimeUnit, std::string const &modelName, int *const requestedUnitsAccepted, Model **const model)
 
static void Destroy (Model **const model)
 

Detailed Description

Definition at line 60 of file KIM_Model.hpp.

Member Function Documentation

◆ ClearInfluenceDistanceAndCutoffsThenRefreshModel()

int KIM::Model::ClearInfluenceDistanceAndCutoffsThenRefreshModel ( )

◆ Compute()

int KIM::Model::Compute ( ComputeArguments const *const  computeArguments) const

◆ ComputeArgumentsCreate()

int KIM::Model::ComputeArgumentsCreate ( ComputeArguments **const  computeArguments) const

◆ ComputeArgumentsDestroy()

int KIM::Model::ComputeArgumentsDestroy ( ComputeArguments **const  computeArguments) const

◆ Create()

static int KIM::Model::Create ( Numbering const  numbering,
LengthUnit const  requestedLengthUnit,
EnergyUnit const  requestedEnergyUnit,
ChargeUnit const  requestedChargeUnit,
TemperatureUnit const  requestedTemperatureUnit,
TimeUnit const  requestedTimeUnit,
std::string const &  modelName,
int *const  requestedUnitsAccepted,
Model **const  model 
)
static

◆ Destroy()

static void KIM::Model::Destroy ( Model **const  model)
static

◆ GetInfluenceDistance()

void KIM::Model::GetInfluenceDistance ( double *const  influenceDistance) const

◆ GetNeighborListCutoffsPointer()

void KIM::Model::GetNeighborListCutoffsPointer ( int *const  numberOfCutoffs,
double const **const  cutoffs 
) const

◆ GetNumberOfParameters()

void KIM::Model::GetNumberOfParameters ( int *const  numberOfParameters) const

◆ GetParameter() [1/2]

int KIM::Model::GetParameter ( int const  parameterIndex,
int const  arrayIndex,
int *const  parameterValue 
) const

◆ GetParameter() [2/2]

int KIM::Model::GetParameter ( int const  parameterIndex,
int const  arrayIndex,
double *const  parameterValue 
) const

◆ GetParameterDataTypeExtentAndDescription()

int KIM::Model::GetParameterDataTypeExtentAndDescription ( int const  index,
DataType *const  dataType,
int *  extent,
std::string const **const  description 
) const

◆ GetSimulatorBufferPointer()

void KIM::Model::GetSimulatorBufferPointer ( void **const  ptr) const

◆ GetSpeciesSupportAndCode()

int KIM::Model::GetSpeciesSupportAndCode ( SpeciesName const  speciesName,
int *const  speciesIsSupported,
int *const  code 
) const

◆ GetUnits()

void KIM::Model::GetUnits ( LengthUnit *const  lengthUnit,
EnergyUnit *const  energyUnit,
ChargeUnit *const  chargeUnit,
TemperatureUnit *const  temperatureUnit,
TimeUnit *const  timeUnit 
) const

◆ PopLogVerbosity()

void KIM::Model::PopLogVerbosity ( )

◆ PushLogVerbosity()

void KIM::Model::PushLogVerbosity ( LogVerbosity const  logVerbosity)

◆ SetLogID()

void KIM::Model::SetLogID ( std::string const &  logID)

◆ SetParameter() [1/2]

int KIM::Model::SetParameter ( int const  parameterIndex,
int const  arrayIndex,
int const  parameterValue 
)

◆ SetParameter() [2/2]

int KIM::Model::SetParameter ( int const  parameterIndex,
int const  arrayIndex,
double const  parameterValue 
)

◆ SetSimulatorBufferPointer()

void KIM::Model::SetSimulatorBufferPointer ( void *const  ptr)

◆ String()

std::string const& KIM::Model::String ( ) const

The documentation for this class was generated from the following file: