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_ComputeArgumentName.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_COMPUTE_ARGUMENT_NAME_H_
32#define KIM_COMPUTE_ARGUMENT_NAME_H_
33
34/* Forward declarations */
35#ifndef KIM_DATA_TYPE_DEFINED_
36#define KIM_DATA_TYPE_DEFINED_
43#endif
44
45
55{
66};
67#ifndef KIM_COMPUTE_ARGUMENT_NAME_DEFINED_
68#define KIM_COMPUTE_ARGUMENT_NAME_DEFINED_
75#endif
76
87KIM_ComputeArgumentName_FromString(char const * const str);
88
98 KIM_ComputeArgumentName const computeArgumentName);
99
109 KIM_ComputeArgumentName const rhs);
110
120 KIM_ComputeArgumentName const rhs);
121
131 KIM_ComputeArgumentName const computeArgumentName);
132
142extern KIM_ComputeArgumentName const
144
154extern KIM_ComputeArgumentName const
156
166extern KIM_ComputeArgumentName const
168
178
188
198
208extern KIM_ComputeArgumentName const
210
220
230extern KIM_ComputeArgumentName const
232
243 int * const numberOfComputeArgumentNames);
244
254 int const index, KIM_ComputeArgumentName * const computeArgumentName);
255
265 KIM_ComputeArgumentName const computeArgumentName,
266 KIM_DataType * const dataType);
267
268#endif /* KIM_COMPUTE_ARGUMENT_NAME_H_ */
KIM_ComputeArgumentName const KIM_COMPUTE_ARGUMENT_NAME_numberOfParticles
The standard numberOfParticles argument.
void KIM_COMPUTE_ARGUMENT_NAME_GetNumberOfComputeArgumentNames(int *const numberOfComputeArgumentNames)
KIM::COMPUTE_ARGUMENT_NAME::GetNumberOfComputeArgumentNames
KIM_ComputeArgumentName const KIM_COMPUTE_ARGUMENT_NAME_partialVirial
The standard partialVirial argument.
char const * KIM_ComputeArgumentName_ToString(KIM_ComputeArgumentName const computeArgumentName)
Converts the object to a string.
KIM_ComputeArgumentName const KIM_COMPUTE_ARGUMENT_NAME_particleContributing
The standard particleContributing argument.
int KIM_ComputeArgumentName_Known(KIM_ComputeArgumentName const computeArgumentName)
Determines if the object is a quantity known to the KIM API.
KIM_ComputeArgumentName KIM_ComputeArgumentName_FromString(char const *const str)
KIM::ComputeArgumentName::ComputeArgumentName(std::string const &)
int KIM_ComputeArgumentName_NotEqual(KIM_ComputeArgumentName const lhs, KIM_ComputeArgumentName const rhs)
Compares ComputeArgumentName objects for inequality.
int KIM_COMPUTE_ARGUMENT_NAME_GetComputeArgumentDataType(KIM_ComputeArgumentName const computeArgumentName, KIM_DataType *const dataType)
Get the DataType of each defined standard ComputeArgumentName.
int KIM_COMPUTE_ARGUMENT_NAME_GetComputeArgumentName(int const index, KIM_ComputeArgumentName *const computeArgumentName)
Get the identity of each defined standard ComputeArgumentName.
int KIM_ComputeArgumentName_Equal(KIM_ComputeArgumentName const lhs, KIM_ComputeArgumentName const rhs)
Compares ComputeArgumentName objects for equality.
KIM_ComputeArgumentName const KIM_COMPUTE_ARGUMENT_NAME_coordinates
The standard coordinates argument.
KIM_ComputeArgumentName const KIM_COMPUTE_ARGUMENT_NAME_particleSpeciesCodes
The standard particleSpeciesCodes argument.
KIM_ComputeArgumentName const KIM_COMPUTE_ARGUMENT_NAME_partialForces
The standard partialForces argument.
KIM_ComputeArgumentName const KIM_COMPUTE_ARGUMENT_NAME_partialParticleVirial
The standard partialParticleVirial argument.
KIM_ComputeArgumentName const KIM_COMPUTE_ARGUMENT_NAME_partialParticleEnergy
The standard partialParticleEnergy argument.
KIM_ComputeArgumentName const KIM_COMPUTE_ARGUMENT_NAME_partialEnergy
The standard partialEnergy argument.
An Extensible Enumeration for the ComputeArgumentName's supported by the KIM API.
int computeArgumentNameID
Integer identifying the specific ComputeArgumentName represented.
An Extensible Enumeration for the DataType's supported by the KIM API.
Definition: KIM_DataType.h:42