kim-api 2.3.0+AppleClang.AppleClang.GNU
An Application Programming Interface (API) for the Knowledgebase of Interatomic Models (KIM).
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An Extensible Enumeration for the EnergyUnit's supported by the KIM API. More...
Data Types | |
type | kim_energy_unit_type |
An Extensible Enumeration for the EnergyUnit's supported by the KIM API. More... | |
interface | kim_from_string |
Create an EnergyUnit object corresponding to the provided string. If the string does not match one of the values defined by the KIM API, then an "unknown" object is generated. More... | |
interface | kim_known |
Determines if the object is a quantity known to the KIM API. More... | |
interface | kim_to_string |
Converts the object to a string. More... | |
Functions/Subroutines | |
recursive subroutine, public | kim_get_number_of_energy_units (number_of_energy_units) |
Get the number of standard EnergyUnit's defined by the KIM API. More... | |
recursive subroutine, public | kim_get_energy_unit (index, energy_unit, ierr) |
Get the identity of each defined standard EnergyUnit. More... | |
Variables | |
type(kim_energy_unit_type), save, bind(C, name="KIM_ENERGY_UNIT_unused"), public, protected | kim_energy_unit_unused |
Indicates that a EnergyUnit is not used. More... | |
type(kim_energy_unit_type), save, bind(C, name="KIM_ENERGY_UNIT_amu_A2_per_ps2"), public, protected | kim_energy_unit_amu_a2_per_ps2 |
The standard amu*A \(^2\)/ps \(^2\) unit of energy. More... | |
type(kim_energy_unit_type), save, bind(C, name="KIM_ENERGY_UNIT_erg"), public, protected | kim_energy_unit_erg |
The standard erg unit of energy. More... | |
type(kim_energy_unit_type), save, bind(C, name="KIM_ENERGY_UNIT_eV"), public, protected | kim_energy_unit_ev |
The standard electronvolt unit of energy. More... | |
type(kim_energy_unit_type), save, bind(C, name="KIM_ENERGY_UNIT_Hartree"), public, protected | kim_energy_unit_hartree |
The standard Hartree unit of energy. More... | |
type(kim_energy_unit_type), save, bind(C, name="KIM_ENERGY_UNIT_J"), public, protected | kim_energy_unit_j |
The standard Joule unit of energy. More... | |
type(kim_energy_unit_type), save, bind(C, name="KIM_ENERGY_UNIT_kcal_mol"), public, protected | kim_energy_unit_kcal_mol |
The standard kilocalorie per mole unit of energy. More... | |
An Extensible Enumeration for the EnergyUnit's supported by the KIM API.
recursive subroutine, public kim_energy_unit_module::kim_get_energy_unit | ( | integer(c_int), intent(in) | index, |
type(kim_energy_unit_type), intent(out) | energy_unit, | ||
integer(c_int), intent(out) | ierr | ||
) |
Get the identity of each defined standard EnergyUnit.
Definition at line 306 of file kim_energy_unit_module.f90.
recursive subroutine, public kim_energy_unit_module::kim_get_number_of_energy_units | ( | integer(c_int), intent(out) | number_of_energy_units | ) |
Get the number of standard EnergyUnit's defined by the KIM API.
Definition at line 287 of file kim_energy_unit_module.f90.
type(kim_energy_unit_type), save, bind(C, name="KIM_ENERGY_UNIT_amu_A2_per_ps2"), public, protected kim_energy_unit_module::kim_energy_unit_amu_a2_per_ps2 |
The standard amu*A
\(^2\)/ps
\(^2\) unit of energy.
Definition at line 88 of file kim_energy_unit_module.f90.
type(kim_energy_unit_type), save, bind(C, name="KIM_ENERGY_UNIT_erg"), public, protected kim_energy_unit_module::kim_energy_unit_erg |
The standard erg unit of energy.
Definition at line 97 of file kim_energy_unit_module.f90.
type(kim_energy_unit_type), save, bind(C, name="KIM_ENERGY_UNIT_eV"), public, protected kim_energy_unit_module::kim_energy_unit_ev |
The standard electronvolt unit of energy.
Definition at line 106 of file kim_energy_unit_module.f90.
type(kim_energy_unit_type), save, bind(C, name="KIM_ENERGY_UNIT_Hartree"), public, protected kim_energy_unit_module::kim_energy_unit_hartree |
The standard Hartree unit of energy.
Definition at line 115 of file kim_energy_unit_module.f90.
type(kim_energy_unit_type), save, bind(C, name="KIM_ENERGY_UNIT_J"), public, protected kim_energy_unit_module::kim_energy_unit_j |
The standard Joule unit of energy.
Definition at line 124 of file kim_energy_unit_module.f90.
type(kim_energy_unit_type), save, bind(C, name="KIM_ENERGY_UNIT_kcal_mol"), public, protected kim_energy_unit_module::kim_energy_unit_kcal_mol |
The standard kilocalorie per mole unit of energy.
Definition at line 133 of file kim_energy_unit_module.f90.
type(kim_energy_unit_type), save, bind(C, name="KIM_ENERGY_UNIT_unused"), public, protected kim_energy_unit_module::kim_energy_unit_unused |
Indicates that a EnergyUnit is not used.
Definition at line 79 of file kim_energy_unit_module.f90.