kim-api 2.3.0+AppleClang.AppleClang.GNU
An Application Programming Interface (API) for the Knowledgebase of Interatomic Models (KIM).
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KIM_EnergyUnit.h
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1/* */
2/* KIM-API: An API for interatomic models */
3/* Copyright (c) 2013--2022, Regents of the University of Minnesota. */
4/* All rights reserved. */
5/* */
6/* Contributors: */
7/* Ryan S. Elliott */
8/* */
9/* SPDX-License-Identifier: LGPL-2.1-or-later */
10/* */
11/* This library is free software; you can redistribute it and/or */
12/* modify it under the terms of the GNU Lesser General Public */
13/* License as published by the Free Software Foundation; either */
14/* version 2.1 of the License, or (at your option) any later version. */
15/* */
16/* This library is distributed in the hope that it will be useful, */
17/* but WITHOUT ANY WARRANTY; without even the implied warranty of */
18/* MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU */
19/* Lesser General Public License for more details. */
20/* */
21/* You should have received a copy of the GNU Lesser General Public License */
22/* along with this library; if not, write to the Free Software Foundation, */
23/* Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA */
24/* */
25
26/* */
27/* Release: This file is part of the kim-api-2.3.0 package. */
28/* */
29
30
31#ifndef KIM_ENERGY_UNIT_H_
32#define KIM_ENERGY_UNIT_H_
33
42{
52};
53#ifndef KIM_ENERGY_UNIT_DEFINED_
54#define KIM_ENERGY_UNIT_DEFINED_
61#endif
62
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107char const * KIM_EnergyUnit_ToString(KIM_EnergyUnit const energyUnit);
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184void KIM_ENERGY_UNIT_GetNumberOfEnergyUnits(int * const numberOfEnergyUnits);
185
195 KIM_EnergyUnit * const energyUnit);
196
197#endif /* KIM_ENERGY_UNIT_H_ */
void KIM_ENERGY_UNIT_GetNumberOfEnergyUnits(int *const numberOfEnergyUnits)
Get the number of standard EnergyUnit's defined by the KIM API.
int KIM_EnergyUnit_Known(KIM_EnergyUnit const energyUnit)
Determines if the object is a quantity known to the KIM API.
int KIM_EnergyUnit_NotEqual(KIM_EnergyUnit const lhs, KIM_EnergyUnit const rhs)
Compares EnergyUnit objects for inequality.
char const * KIM_EnergyUnit_ToString(KIM_EnergyUnit const energyUnit)
Converts the object to a string.
int KIM_EnergyUnit_Equal(KIM_EnergyUnit const lhs, KIM_EnergyUnit const rhs)
Compares EnergyUnit objects for equality.
KIM_EnergyUnit const KIM_ENERGY_UNIT_amu_A2_per_ps2
The standard amu*A /ps unit of energy.
KIM_EnergyUnit const KIM_ENERGY_UNIT_J
The standard Joule unit of energy.
KIM_EnergyUnit const KIM_ENERGY_UNIT_unused
Indicates that a EnergyUnit is not used.
KIM_EnergyUnit const KIM_ENERGY_UNIT_Hartree
The standard Hartree unit of energy.
KIM_EnergyUnit const KIM_ENERGY_UNIT_eV
The standard electronvolt unit of energy.
KIM_EnergyUnit const KIM_ENERGY_UNIT_erg
The standard erg unit of energy.
KIM_EnergyUnit KIM_EnergyUnit_FromString(char const *const str)
Create an EnergyUnit object corresponding to the provided string. If the string does not match one of...
KIM_EnergyUnit const KIM_ENERGY_UNIT_kcal_mol
The standard kilocalorie per mole unit of energy.
int KIM_ENERGY_UNIT_GetEnergyUnit(int const index, KIM_EnergyUnit *const energyUnit)
Get the identity of each defined standard EnergyUnit.
An Extensible Enumeration for the EnergyUnit's supported by the KIM API.
int energyUnitID
Integer identifying the specific EnergyUnit represented.