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::ENERGY_UNIT Namespace Reference

Contains the enumeration constants and the discovery routines for the EnergyUnit Extensible Enumeration. More...

Classes

struct  Comparator
 Structure provided for use with std::map. More...
 

Functions

void GetNumberOfEnergyUnits (int *const numberOfEnergyUnits)
 Get the number of standard EnergyUnit's defined by the KIM API. More...
 
int GetEnergyUnit (int const index, EnergyUnit *const energyUnit)
 Get the identity of each defined standard EnergyUnit. More...
 

Variables

EnergyUnit const unused
 Indicates that a EnergyUnit is not used. More...
 
EnergyUnit const amu_A2_per_ps2
 The standard amu*A \(^2\)/ps \(^2\) unit of energy. More...
 
EnergyUnit const erg
 The standard erg unit of energy. More...
 
EnergyUnit const eV
 The standard electronvolt unit of energy. More...
 
EnergyUnit const Hartree
 The standard Hartree unit of energy. More...
 
EnergyUnit const J
 The standard Joule unit of energy. More...
 
EnergyUnit const kcal_mol
 The standard kilocalorie per mole unit of energy. More...
 

Detailed Description

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

Function Documentation

◆ GetEnergyUnit()

int KIM::ENERGY_UNIT::GetEnergyUnit ( int const  index,
EnergyUnit *const  energyUnit 
)

Get the identity of each defined standard EnergyUnit.

Parameters
[in]indexZero-based index uniquely labeling each defined standard EnergyUnit. This index ordering is only guaranteed to be stable during the lifetime of the current process.
[out]energyUnitThe EnergyUnit object associated with index.
Returns
true if index < 0 or index >= numberOfEnergyUnits.
false otherwise.
See also
KIM_ENERGY_UNIT_GetEnergyUnit, kim_energy_unit_module::kim_get_energy_unit
Since
2.0

◆ GetNumberOfEnergyUnits()

void KIM::ENERGY_UNIT::GetNumberOfEnergyUnits ( int *const  numberOfEnergyUnits)

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

Parameters
[out]numberOfEnergyUnitsThe number of standard EnergyUnit's defined by the KIM API.
See also
KIM_ENERGY_UNIT_GetNumberOfEnergyUnits, kim_energy_unit_module::kim_get_number_of_energy_units
Since
2.0

Variable Documentation

◆ amu_A2_per_ps2

EnergyUnit const KIM::ENERGY_UNIT::amu_A2_per_ps2

The standard amu*A \(^2\)/ps \(^2\) unit of energy.

See also
KIM_ENERGY_UNIT_amu_A2_per_ps2, kim_energy_unit_module::kim_energy_unit_amu_a2_per_ps2
Since
2.0

◆ erg

EnergyUnit const KIM::ENERGY_UNIT::erg

The standard erg unit of energy.

See also
KIM_ENERGY_UNIT_erg, kim_energy_unit_module::kim_energy_unit_erg
Since
2.0

◆ eV

EnergyUnit const KIM::ENERGY_UNIT::eV

The standard electronvolt unit of energy.

See also
KIM_ENERGY_UNIT_eV, kim_energy_unit_module::kim_energy_unit_ev
Since
2.0

◆ Hartree

EnergyUnit const KIM::ENERGY_UNIT::Hartree

The standard Hartree unit of energy.

See also
KIM_ENERGY_UNIT_Hartre, kim_energy_unit_module::kim_energy_unit_hartree
Since
2.0

◆ J

EnergyUnit const KIM::ENERGY_UNIT::J

The standard Joule unit of energy.

See also
KIM_ENERGY_UNIT_J, kim_energy_unit_module::kim_energy_unit_j
Since
2.0

◆ kcal_mol

EnergyUnit const KIM::ENERGY_UNIT::kcal_mol

The standard kilocalorie per mole unit of energy.

See also
KIM_ENERGY_UNIT_kcal_mol, kim_energy_unit_module::kim_energy_unit_kcal_mol
Since
2.0

◆ unused

EnergyUnit const KIM::ENERGY_UNIT::unused

Indicates that a EnergyUnit is not used.

See also
KIM_ENERGY_UNIT_unused, kim_energy_unit_module::kim_energy_unit_unused
Since
2.0