KIM API V2
|
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 |
int KIM::COMPUTE_ARGUMENT_NAME::GetComputeArgumentDataType | ( | ComputeArgumentName const | computeArgumentName, |
DataType *const | dataType | ||
) |
int KIM::COMPUTE_ARGUMENT_NAME::GetComputeArgumentName | ( | int const | index, |
ComputeArgumentName *const | computeArgumentName | ||
) |
void KIM::COMPUTE_ARGUMENT_NAME::GetNumberOfComputeArgumentNames | ( | int *const | numberOfComputeArgumentNames | ) |
ComputeArgumentName const KIM::COMPUTE_ARGUMENT_NAME::coordinates |
ComputeArgumentName const KIM::COMPUTE_ARGUMENT_NAME::numberOfParticles |
ComputeArgumentName const KIM::COMPUTE_ARGUMENT_NAME::partialEnergy |
ComputeArgumentName const KIM::COMPUTE_ARGUMENT_NAME::partialForces |
ComputeArgumentName const KIM::COMPUTE_ARGUMENT_NAME::partialParticleEnergy |
ComputeArgumentName const KIM::COMPUTE_ARGUMENT_NAME::partialParticleVirial |
ComputeArgumentName const KIM::COMPUTE_ARGUMENT_NAME::partialVirial |
ComputeArgumentName const KIM::COMPUTE_ARGUMENT_NAME::particleContributing |
ComputeArgumentName const KIM::COMPUTE_ARGUMENT_NAME::particleSpeciesCodes |