KIM API V2
Classes | Functions | Variables
KIM::COMPUTE_ARGUMENT_NAME Namespace Reference

Classes

struct  Comparator
 

Functions

void GetNumberOfComputeArgumentNames (int *const numberOfComputeArgumentNames)
 
int GetComputeArgumentName (int const index, ComputeArgumentName *const computeArgumentName)
 
int GetComputeArgumentDataType (ComputeArgumentName const computeArgumentName, DataType *const dataType)
 

Variables

ComputeArgumentName const numberOfParticles
 
ComputeArgumentName const particleSpeciesCodes
 
ComputeArgumentName const particleContributing
 
ComputeArgumentName const coordinates
 
ComputeArgumentName const partialEnergy
 
ComputeArgumentName const partialForces
 
ComputeArgumentName const partialParticleEnergy
 
ComputeArgumentName const partialVirial
 
ComputeArgumentName const partialParticleVirial
 

Function Documentation

◆ GetComputeArgumentDataType()

int KIM::COMPUTE_ARGUMENT_NAME::GetComputeArgumentDataType ( ComputeArgumentName const  computeArgumentName,
DataType *const  dataType 
)

◆ GetComputeArgumentName()

int KIM::COMPUTE_ARGUMENT_NAME::GetComputeArgumentName ( int const  index,
ComputeArgumentName *const  computeArgumentName 
)

◆ GetNumberOfComputeArgumentNames()

void KIM::COMPUTE_ARGUMENT_NAME::GetNumberOfComputeArgumentNames ( int *const  numberOfComputeArgumentNames)

Variable Documentation

◆ coordinates

ComputeArgumentName const KIM::COMPUTE_ARGUMENT_NAME::coordinates

◆ numberOfParticles

ComputeArgumentName const KIM::COMPUTE_ARGUMENT_NAME::numberOfParticles

◆ partialEnergy

ComputeArgumentName const KIM::COMPUTE_ARGUMENT_NAME::partialEnergy

◆ partialForces

ComputeArgumentName const KIM::COMPUTE_ARGUMENT_NAME::partialForces

◆ partialParticleEnergy

ComputeArgumentName const KIM::COMPUTE_ARGUMENT_NAME::partialParticleEnergy

◆ partialParticleVirial

ComputeArgumentName const KIM::COMPUTE_ARGUMENT_NAME::partialParticleVirial

◆ partialVirial

ComputeArgumentName const KIM::COMPUTE_ARGUMENT_NAME::partialVirial

◆ particleContributing

ComputeArgumentName const KIM::COMPUTE_ARGUMENT_NAME::particleContributing

◆ particleSpeciesCodes

ComputeArgumentName const KIM::COMPUTE_ARGUMENT_NAME::particleSpeciesCodes