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

#include <KIM_ModelCreate.hpp>

Public Member Functions

int SetModelNumbering (Numbering const numbering)
 
void SetInfluenceDistancePointer (double const *const influenceDistance)
 
void SetNeighborListPointers (int const numberOfNeighborLists, double const *const cutoffs, int const *const paddingNeighborHints, int const *const halfListHints)
 
int SetRefreshPointer (LanguageName const languageName, func *const fptr)
 
int SetDestroyPointer (LanguageName const languageName, func *const fptr)
 
int SetComputeArgumentsCreatePointer (LanguageName const languageName, func *const fptr)
 
int SetComputeArgumentsDestroyPointer (LanguageName const languageName, func *const fptr)
 
int SetComputePointer (LanguageName const languageName, func *const fptr)
 
int SetSpeciesCode (SpeciesName const speciesName, int const code)
 
int SetParameterPointer (int const extent, int *const ptr, std::string const &description)
 
int SetParameterPointer (int const extent, double *const ptr, std::string const &description)
 
void SetModelBufferPointer (void *const ptr)
 
int SetUnits (LengthUnit const lengthUnit, EnergyUnit const energyUnit, ChargeUnit const chargeUnit, TemperatureUnit const temperatureUnit, TimeUnit const timeUnit)
 
int ConvertUnit (LengthUnit const fromLengthUnit, EnergyUnit const fromEnergyUnit, ChargeUnit const fromChargeUnit, TemperatureUnit const fromTemperatureUnit, TimeUnit const fromTimeUnit, LengthUnit const toLengthUnit, EnergyUnit const toEnergyUnit, ChargeUnit const toChargeUnit, TemperatureUnit const toTemperatureUnit, TimeUnit const toTimeUnit, double const lengthExponent, double const energyExponent, double const chargeExponent, double const temperatureExponent, double const timeExponent, double *const conversionFactor) const
 
void LogEntry (LogVerbosity const logVerbosity, std::string const &message, int const lineNumber, std::string const &fileName) const
 
void LogEntry (LogVerbosity const logVerbosity, std::stringstream const &message, int const lineNumber, std::string const &fileName) const
 
std::string const & String () const
 

Detailed Description

Definition at line 61 of file KIM_ModelCreate.hpp.

Member Function Documentation

◆ ConvertUnit()

int KIM::ModelCreate::ConvertUnit ( LengthUnit const  fromLengthUnit,
EnergyUnit const  fromEnergyUnit,
ChargeUnit const  fromChargeUnit,
TemperatureUnit const  fromTemperatureUnit,
TimeUnit const  fromTimeUnit,
LengthUnit const  toLengthUnit,
EnergyUnit const  toEnergyUnit,
ChargeUnit const  toChargeUnit,
TemperatureUnit const  toTemperatureUnit,
TimeUnit const  toTimeUnit,
double const  lengthExponent,
double const  energyExponent,
double const  chargeExponent,
double const  temperatureExponent,
double const  timeExponent,
double *const  conversionFactor 
) const

◆ LogEntry() [1/2]

void KIM::ModelCreate::LogEntry ( LogVerbosity const  logVerbosity,
std::string const &  message,
int const  lineNumber,
std::string const &  fileName 
) const

◆ LogEntry() [2/2]

void KIM::ModelCreate::LogEntry ( LogVerbosity const  logVerbosity,
std::stringstream const &  message,
int const  lineNumber,
std::string const &  fileName 
) const

◆ SetComputeArgumentsCreatePointer()

int KIM::ModelCreate::SetComputeArgumentsCreatePointer ( LanguageName const  languageName,
func *const  fptr 
)

◆ SetComputeArgumentsDestroyPointer()

int KIM::ModelCreate::SetComputeArgumentsDestroyPointer ( LanguageName const  languageName,
func *const  fptr 
)

◆ SetComputePointer()

int KIM::ModelCreate::SetComputePointer ( LanguageName const  languageName,
func *const  fptr 
)

◆ SetDestroyPointer()

int KIM::ModelCreate::SetDestroyPointer ( LanguageName const  languageName,
func *const  fptr 
)

◆ SetInfluenceDistancePointer()

void KIM::ModelCreate::SetInfluenceDistancePointer ( double const *const  influenceDistance)

◆ SetModelBufferPointer()

void KIM::ModelCreate::SetModelBufferPointer ( void *const  ptr)

◆ SetModelNumbering()

int KIM::ModelCreate::SetModelNumbering ( Numbering const  numbering)

◆ SetNeighborListPointers()

void KIM::ModelCreate::SetNeighborListPointers ( int const  numberOfNeighborLists,
double const *const  cutoffs,
int const *const  paddingNeighborHints,
int const *const  halfListHints 
)

◆ SetParameterPointer() [1/2]

int KIM::ModelCreate::SetParameterPointer ( int const  extent,
int *const  ptr,
std::string const &  description 
)

◆ SetParameterPointer() [2/2]

int KIM::ModelCreate::SetParameterPointer ( int const  extent,
double *const  ptr,
std::string const &  description 
)

◆ SetRefreshPointer()

int KIM::ModelCreate::SetRefreshPointer ( LanguageName const  languageName,
func *const  fptr 
)

◆ SetSpeciesCode()

int KIM::ModelCreate::SetSpeciesCode ( SpeciesName const  speciesName,
int const  code 
)

◆ SetUnits()

int KIM::ModelCreate::SetUnits ( LengthUnit const  lengthUnit,
EnergyUnit const  energyUnit,
ChargeUnit const  chargeUnit,
TemperatureUnit const  temperatureUnit,
TimeUnit const  timeUnit 
)

◆ String()

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

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