kim-api
2.3.0+v2.3.0.GNU.GNU.
An Application Programming Interface (API) for the Knowledgebase of Interatomic Models (KIM).
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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... | |
Contains the enumeration constants and the discovery routines for the EnergyUnit Extensible Enumeration.
int KIM::ENERGY_UNIT::GetEnergyUnit | ( | int const | index, |
EnergyUnit *const | energyUnit | ||
) |
Get the identity of each defined standard EnergyUnit.
[in] | index | Zero-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] | energyUnit | The EnergyUnit object associated with index . |
true
if index < 0
or index >= numberOfEnergyUnits
. false
otherwise.void KIM::ENERGY_UNIT::GetNumberOfEnergyUnits | ( | int *const | numberOfEnergyUnits | ) |
Get the number of standard EnergyUnit's defined by the KIM API.
[out] | numberOfEnergyUnits | The number of standard EnergyUnit's defined by the KIM API. |
EnergyUnit const KIM::ENERGY_UNIT::amu_A2_per_ps2 |
The standard amu*A
\(^2\)/ps
\(^2\) unit of energy.
EnergyUnit const KIM::ENERGY_UNIT::erg |
The standard erg unit of energy.
EnergyUnit const KIM::ENERGY_UNIT::eV |
The standard electronvolt unit of energy.
EnergyUnit const KIM::ENERGY_UNIT::Hartree |
The standard Hartree unit of energy.
EnergyUnit const KIM::ENERGY_UNIT::J |
The standard Joule unit of energy.
EnergyUnit const KIM::ENERGY_UNIT::kcal_mol |
The standard kilocalorie per mole unit of energy.
EnergyUnit const KIM::ENERGY_UNIT::unused |
Indicates that a EnergyUnit is not used.