kim-api  2.1.4-git+v2.1.3-git-1-g7847914a.GNU
An Application Programming Interface (API) for the Knowledgebase of Interatomic Models (KIM).
Classes | Functions | Variables
KIM::COMPUTE_ARGUMENT_NAME Namespace Reference

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...
 

Detailed Description

Contains the enumeration constants and the discovery routines for the ComputeArgumentName Extensible Enumeration.

Function Documentation

◆ GetComputeArgumentDataType()

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

Get the DataType of each defined standard ComputeArgumentName.

Parameters
[in]computeArgumentNameThe ComputeArgumentName object of interest.
[out]dataTypeThe DataType of the associated ComputeArgumentName.
Returns
true if computeArgumentName is "unknown".
false otherwise.
See also
KIM_COMPUTE_ARGUMENT_NAME_GetComputeArgumentDataType, kim_compute_argument_name_module::kim_get_compute_argument_data_type
Since
2.0

◆ GetComputeArgumentName()

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

Get the identity of each defined standard ComputeArgumentName.

Parameters
[in]indexZero-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]computeArgumentNameThe ComputeArgumentName object associated with index.
Returns
true if index < 0 or index >= numberOfComputeArgumentNames.
false otherwise.
See also
KIM_COMPUTE_ARGUMENT_NAME_GetComputeArgumentName, kim_compute_argument_name_module::kim_get_compute_argument_name
Since
2.0

◆ GetNumberOfComputeArgumentNames()

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

Get the number of standard ComputeArgumentName's defined by the KIM API.

Parameters
[out]numberOfComputeArgumentNamesThe number of standard ComputeArgumentName's defined by the KIM API.
See also
KIM_COMPUTE_ARGUMENT_NAME_GetNumberOfComputeArgumentNames, kim_compute_argument_name_module::kim_get_number_of_compute_argument_names
Since
2.0

Variable Documentation

◆ coordinates

ComputeArgumentName const KIM::COMPUTE_ARGUMENT_NAME::coordinates

The standard coordinates argument.

Todo:
Add more detailed description of argument.
See also
KIM_COMPUTE_ARGUMENT_NAME_coordinates, kim_compute_argument_name_module::kim_compute_argument_name_coordinates
Since
2.0

◆ numberOfParticles

ComputeArgumentName const KIM::COMPUTE_ARGUMENT_NAME::numberOfParticles

The standard numberOfParticles argument.

Todo:
Add more detailed description of argument.
See also
KIM_COMPUTE_ARGUMENT_NAME_numberOfParticles, kim_compute_argument_name_module::kim_compute_argument_name_number_of_particles
Since
2.0

◆ partialEnergy

ComputeArgumentName const KIM::COMPUTE_ARGUMENT_NAME::partialEnergy

The standard partialEnergy argument.

Todo:
Add more detailed description of argument.
See also
KIM_COMPUTE_ARGUMENT_NAME_partialEnergy, kim_compute_argument_name_module::kim_compute_argument_name_partial_energy
Since
2.0

◆ partialForces

ComputeArgumentName const KIM::COMPUTE_ARGUMENT_NAME::partialForces

The standard partialForces argument.

Todo:
Add more detailed description of argument.
See also
KIM_COMPUTE_ARGUMENT_NAME_partialForces, kim_compute_argument_name_module::kim_compute_argument_name_partial_forces
Since
2.0

◆ partialParticleEnergy

ComputeArgumentName const KIM::COMPUTE_ARGUMENT_NAME::partialParticleEnergy

The standard partialParticleEnergy argument.

Todo:
Add more detailed description of argument.
See also
KIM_COMPUTE_ARGUMENT_NAME_partialParticleEnergy, kim_compute_argument_name_module::kim_compute_argument_name_partial_particle_energy
Since
2.0

◆ partialParticleVirial

ComputeArgumentName const KIM::COMPUTE_ARGUMENT_NAME::partialParticleVirial

The standard partialParticleVirial argument.

Todo:
Add more detailed description of argument.
See also
KIM_COMPUTE_ARGUMENT_NAME_partialParticleVirial, kim_compute_argument_name_module::kim_compute_argument_name_partial_particle_virial
Since
2.0

◆ partialVirial

ComputeArgumentName const KIM::COMPUTE_ARGUMENT_NAME::partialVirial

The standard partialVirial argument.

Todo:
Add more detailed description of argument.
See also
KIM_COMPUTE_ARGUMENT_NAME_partialVirial, kim_compute_argument_name_module::kim_compute_argument_name_partial_virial
Since
2.0

◆ particleContributing

ComputeArgumentName const KIM::COMPUTE_ARGUMENT_NAME::particleContributing

The standard particleContributing argument.

Todo:
Add more detailed description of argument.
See also
KIM_COMPUTE_ARGUMENT_NAME_particleContributing, kim_compute_argument_name_module::kim_compute_argument_name_particle_contributing
Since
2.0

◆ particleSpeciesCodes

ComputeArgumentName const KIM::COMPUTE_ARGUMENT_NAME::particleSpeciesCodes

The standard particleSpeciesCodes argument.

Todo:
Add more detailed description of argument.
See also
KIM_COMPUTE_ARGUMENT_NAME_particleSpeciesCodes, kim_compute_argument_name_module::kim_compute_argument_name_particle_species_codes
Since
2.0