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]	computeArgumentName	The ComputeArgumentName object of interest.
[out]	dataType	The 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]	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.

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]

numberOfComputeArgumentNames

The 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