kim-api
2.2.1+v2.2.1.GNU.GNU.
An Application Programming Interface (API) for the Knowledgebase of Interatomic Models (KIM).
|
Contains the enumeration constants and the discovery routines for the ComputeArgumentName Extensible Enumeration. More...
Classes | |
struct | Comparator |
Structure provided for use with std::map. More... | |
Functions | |
void | GetNumberOfComputeArgumentNames (int *const numberOfComputeArgumentNames) |
Get the number of standard ComputeArgumentName's defined by the KIM API. More... | |
int | GetComputeArgumentName (int const index, ComputeArgumentName *const computeArgumentName) |
Get the identity of each defined standard ComputeArgumentName. More... | |
int | GetComputeArgumentDataType (ComputeArgumentName const computeArgumentName, DataType *const dataType) |
Get the DataType of each defined standard ComputeArgumentName. More... | |
Variables | |
ComputeArgumentName const | numberOfParticles |
The standard numberOfParticles argument. More... | |
ComputeArgumentName const | particleSpeciesCodes |
The standard particleSpeciesCodes argument. More... | |
ComputeArgumentName const | particleContributing |
The standard particleContributing argument. More... | |
ComputeArgumentName const | coordinates |
The standard coordinates argument. More... | |
ComputeArgumentName const | partialEnergy |
The standard partialEnergy argument. More... | |
ComputeArgumentName const | partialForces |
The standard partialForces argument. More... | |
ComputeArgumentName const | partialParticleEnergy |
The standard partialParticleEnergy argument. More... | |
ComputeArgumentName const | partialVirial |
The standard partialVirial argument. More... | |
ComputeArgumentName const | partialParticleVirial |
The standard partialParticleVirial argument. More... | |
Contains the enumeration constants and the discovery routines for the ComputeArgumentName Extensible Enumeration.
int KIM::COMPUTE_ARGUMENT_NAME::GetComputeArgumentDataType | ( | ComputeArgumentName const | computeArgumentName, |
DataType *const | dataType | ||
) |
Get the DataType of each defined standard ComputeArgumentName.
[in] | computeArgumentName | The ComputeArgumentName object of interest. |
[out] | dataType | The DataType of the associated ComputeArgumentName. |
true
if computeArgumentName
is "unknown". false
otherwise.int KIM::COMPUTE_ARGUMENT_NAME::GetComputeArgumentName | ( | int const | index, |
ComputeArgumentName *const | computeArgumentName | ||
) |
Get the identity of each defined standard ComputeArgumentName.
[in] | index | Zero-based index uniquely labeling each defined standard ComputeArgumentName. This index ordering is only guaranteed to be stable during the lifetime of the current process. |
[out] | computeArgumentName | The ComputeArgumentName object associated with index . |
true
if index < 0
or index >= numberOfComputeArgumentNames
. false
otherwise.void KIM::COMPUTE_ARGUMENT_NAME::GetNumberOfComputeArgumentNames | ( | int *const | numberOfComputeArgumentNames | ) |
Get the number of standard ComputeArgumentName's defined by the KIM API.
[out] | numberOfComputeArgumentNames | The number of standard ComputeArgumentName's defined by the KIM API. |
ComputeArgumentName const KIM::COMPUTE_ARGUMENT_NAME::coordinates |
The standard coordinates
argument.
ComputeArgumentName const KIM::COMPUTE_ARGUMENT_NAME::numberOfParticles |
The standard numberOfParticles
argument.
ComputeArgumentName const KIM::COMPUTE_ARGUMENT_NAME::partialEnergy |
The standard partialEnergy
argument.
ComputeArgumentName const KIM::COMPUTE_ARGUMENT_NAME::partialForces |
The standard partialForces
argument.
ComputeArgumentName const KIM::COMPUTE_ARGUMENT_NAME::partialParticleEnergy |
The standard partialParticleEnergy
argument.
ComputeArgumentName const KIM::COMPUTE_ARGUMENT_NAME::partialParticleVirial |
The standard partialParticleVirial
argument.
ComputeArgumentName const KIM::COMPUTE_ARGUMENT_NAME::partialVirial |
The standard partialVirial
argument.
ComputeArgumentName const KIM::COMPUTE_ARGUMENT_NAME::particleContributing |
The standard particleContributing
argument.
ComputeArgumentName const KIM::COMPUTE_ARGUMENT_NAME::particleSpeciesCodes |
The standard particleSpeciesCodes
argument.