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/* */
/* KIM-API: An API for interatomic models */
/* Copyright (c) 2013--2022, Regents of the University of Minnesota. */
/* All rights reserved. */
/* */
/* Contributors: */
/* Ryan S. Elliott */
/* */
/* SPDX-License-Identifier: LGPL-2.1-or-later */
/* */
/* This library is free software; you can redistribute it and/or */
/* modify it under the terms of the GNU Lesser General Public */
/* License as published by the Free Software Foundation; either */
/* version 2.1 of the License, or (at your option) any later version. */
/* */
/* This library is distributed in the hope that it will be useful, */
/* but WITHOUT ANY WARRANTY; without even the implied warranty of */
/* MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU */
/* Lesser General Public License for more details. */
/* */
/* You should have received a copy of the GNU Lesser General Public License */
/* along with this library; if not, write to the Free Software Foundation, */
/* Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA */
/* */
/* */
/* Release: This file is part of the kim-api.git repository. */
/* */
#ifndef KIM_FUNCTION_TYPES_H_
#define KIM_FUNCTION_TYPES_H_
/* Forward declarations */
#ifndef KIM_LENGTH_UNIT_DEFINED_
#define KIM_LENGTH_UNIT_DEFINED_
/**
** \brief Forward declaration.
**
** \since 2.0
**/
typedef struct KIM_LengthUnit KIM_LengthUnit;
#endif
#ifndef KIM_ENERGY_UNIT_DEFINED_
#define KIM_ENERGY_UNIT_DEFINED_
/**
** \brief Forward declaration.
**
** \since 2.0
**/
typedef struct KIM_EnergyUnit KIM_EnergyUnit;
#endif
#ifndef KIM_CHARGE_UNIT_DEFINED_
#define KIM_CHARGE_UNIT_DEFINED_
/**
** \brief Forward declaration.
**
** \since 2.0
**/
typedef struct KIM_ChargeUnit KIM_ChargeUnit;
#endif
#ifndef KIM_TEMPERATURE_UNIT_DEFINED_
#define KIM_TEMPERATURE_UNIT_DEFINED_
/**
** \brief Forward declaration.
**
** \since 2.0
**/
typedef struct KIM_TemperatureUnit KIM_TemperatureUnit;
#endif
#ifndef KIM_TIME_UNIT_DEFINED_
#define KIM_TIME_UNIT_DEFINED_
/**
** \brief Forward declaration.
**
** \since 2.0
**/
typedef struct KIM_TimeUnit KIM_TimeUnit;
#endif
#ifndef KIM_MODEL_CREATE_DEFINED_
#define KIM_MODEL_CREATE_DEFINED_
/**
** \brief Forward declaration.
**
** \since 2.0
**/
typedef struct KIM_ModelCreate KIM_ModelCreate;
#endif
#ifndef KIM_MODEL_DRIVER_CREATE_DEFINED_
#define KIM_MODEL_DRIVER_CREATE_DEFINED_
/**
** \brief Forward declaration.
**
** \since 2.0
**/
typedef struct KIM_ModelDriverCreate KIM_ModelDriverCreate;
#endif
#ifndef KIM_MODEL_COMPUTE_DEFINED_
#define KIM_MODEL_COMPUTE_DEFINED_
/**
** \brief Forward declaration.
**
** \since 2.0
**/
typedef struct KIM_ModelCompute KIM_ModelCompute;
#endif
#ifndef KIM_MODEL_EXTENSION_DEFINED_
#define KIM_MODEL_EXTENSION_DEFINED_
/**
** \brief Forward declaration.
**
** \since 2.0
**/
typedef struct KIM_ModelExtension KIM_ModelExtension;
#endif
#ifndef KIM_MODEL_COMPUTE_ARGUMENTS_CREATE_DEFINED_
#define KIM_MODEL_COMPUTE_ARGUMENTS_CREATE_DEFINED_
/**
** \brief Forward declaration.
**
** \since 2.0
**/
typedef struct KIM_ModelComputeArgumentsCreate KIM_ModelComputeArgumentsCreate;
#endif
#ifndef KIM_MODEL_COMPUTE_ARGUMENTS_DEFINED_
#define KIM_MODEL_COMPUTE_ARGUMENTS_DEFINED_
/**
** \brief Forward declaration.
**
** \since 2.0
**/
typedef struct KIM_ModelComputeArguments KIM_ModelComputeArguments;
#endif
#ifndef KIM_MODEL_REFRESH_DEFINED_
#define KIM_MODEL_REFRESH_DEFINED_
/**
** \brief Forward declaration.
**
** \since 2.0
**/
typedef struct KIM_ModelRefresh KIM_ModelRefresh;
#endif
#ifndef KIM_MODEL_WRITE_PARAMETERIZED_MODEL_DEFINED_
#define KIM_MODEL_WRITE_PARAMETERIZED_MODEL_DEFINED_
/**
** \brief Forward declaration.
**
** \since 2.0
**/
typedef struct KIM_ModelWriteParameterizedModel
KIM_ModelWriteParameterizedModel;
#endif
#ifndef KIM_MODEL_COMPUTE_ARGUMENTS_DESTROY_DEFINED_
#define KIM_MODEL_COMPUTE_ARGUMENTS_DESTROY_DEFINED_
/**
** \brief Forward declaration.
**
** \since 2.0
**/
typedef struct KIM_ModelComputeArgumentsDestroy
KIM_ModelComputeArgumentsDestroy;
#endif
#ifndef KIM_MODEL_DESTROY_DEFINED_
#define KIM_MODEL_DESTROY_DEFINED_
/**
** \brief Forward declaration.
**
** \since 2.0
**/
typedef struct KIM_ModelDestroy KIM_ModelDestroy;
#endif
/**
** \brief \copybrief KIM::Function
**
** \sa KIM::Function
**
** \since 2.0
**/
typedef void(KIM_Function)(void); /* Generic function pointer */
/**
** \brief \copybrief KIM::ModelCreateFunction
**
** \sa KIM::ModelCreateFunction, kim_model_module::kim_model_create
**
** \since 2.0
**/
typedef int
KIM_ModelCreateFunction(KIM_ModelCreate * const modelCreate,
KIM_LengthUnit const requestedLengthUnit,
KIM_EnergyUnit const requestedEnergyUnit,
KIM_ChargeUnit const requestedChargeUnit,
KIM_TemperatureUnit const requestedTemperatureUnit,
KIM_TimeUnit const requestedTimeUnit);
/**
** \brief \copybrief KIM::ModelDriverCreateFunction
**
** \sa KIM::ModelDriverCreateFunction, kim_model_module::kim_model_create
**
** \since 2.0
**/
typedef int KIM_ModelDriverCreateFunction(
KIM_ModelDriverCreate * const modelDriverCreate,
KIM_LengthUnit const requestedLengthUnit,
KIM_EnergyUnit const requestedEnergyUnit,
KIM_ChargeUnit const requestedChargeUnit,
KIM_TemperatureUnit const requestedTemperatureUnit,
KIM_TimeUnit const requestedTimeUnit);
/**
** \brief \copybrief KIM::ModelComputeArgumentsCreateFunction
**
** \sa KIM::ModelComputeArgumentsCreateFunction,
** kim_model_module::kim_model_compute_arguments_create
**
** \since 2.0
**/
typedef int KIM_ModelComputeArgumentsCreateFunction(
KIM_ModelCompute const * const modelCompute,
KIM_ModelComputeArgumentsCreate * const modelComputeArgumentsCreate);
/**
** \brief \copybrief KIM::ModelComputeFunction
**
** \sa KIM::ModelComputeFunction, kim_model_module::kim_model_compute
**
** \since 2.0
**/
typedef int KIM_ModelComputeFunction(
KIM_ModelCompute const * const modelCompute,
KIM_ModelComputeArguments const * const modelComputeArguments);
/**
** \brief \copybrief KIM::GetNeighborListFunction
**
** \sa KIM::GetNeighborListFunction, kim_model_compute_arguments_module::<!--
** -->kim_model_compute_arguments_get_neighbor_list
**
** \since 2.0
**/
typedef int KIM_GetNeighborListFunction(void * const dataObject,
int const numberOfNeighborLists,
double const * const cutoffs,
int const neighborListIndex,
int const particleNumber,
int * const numberOfNeighbors,
int const ** const neighborsOfParticle);
/**
** \brief \copybrief KIM::ProcessDEDrTermFunction
**
** \sa KIM::ProcessDEDrTermFunction, kim_model_compute_arguments_module::<!--
** -->kim_model_compute_arguments_process_dedr_term
**
** \since 2.0
**/
typedef int KIM_ProcessDEDrTermFunction(void * const dataObject,
double const de,
double const r,
double const * const dx,
int const i,
int const j);
/**
** \brief \copybrief KIM::ProcessD2EDr2TermFunction
**
** \sa KIM::ProcessD2EDr2TermFunction,
** kim_model_compute_arguments_module::<!--
** -->kim_model_compute_arguments_process_d2edr2_term
**
** \since 2.0
**/
typedef int KIM_ProcessD2EDr2TermFunction(void * const dataObject,
double const de,
double const * const r,
double const * const dx,
int const * const i,
int const * const j);
/**
** \brief \copybrief KIM::ModelExtensionFunction
**
** \sa KIM::ModelExtensionFunction, kim_model_module::kim_model_extension
**
** \since 2.0
**/
typedef int
KIM_ModelExtensionFunction(KIM_ModelExtension * const modelExtension,
void * const extensionStructure);
/**
** \brief \copybrief KIM::ModelRefreshFunction
**
** \sa KIM::ModelRefreshFunction,
** kim_model_module::kim_model_clear_then_refresh
**
** \since 2.0
**/
typedef int KIM_ModelRefreshFunction(KIM_ModelRefresh * const modelRefresh);
/**
** \brief \copybrief KIM::ModelWriteParameterizedModelFunction
**
** \sa KIM::ModelWriteParameterizedModelFunction, kim_model_module::<!--
** kim_model_write_parameterized_model_function
**
** \since 2.0
**/
typedef int KIM_ModelWriteParameterizedModelFunction(
KIM_ModelWriteParameterizedModel const * const
modelWriteParameterizedModel);
/**
** \brief \copybrief KIM::ModelComputeArgumentsDestroyFunction
**
** \sa KIM::ModelComputeArgumentsDestroyFunction, kim_model_module::<!--
** -->kim_model_compute_arguments_destroy
**
** \since 2.0
**/
typedef int KIM_ModelComputeArgumentsDestroyFunction(
KIM_ModelCompute const * const modelCompute,
KIM_ModelComputeArgumentsDestroy * const modelComputeArgumentsDestroy);
/**
** \brief \copybrief KIM::ModelDestroyFunction
**
** \sa KIM::ModelDestroyFunction, kim_model_module::kim_model_destroy
**
** \since 2.0
**/
typedef int KIM_ModelDestroyFunction(KIM_ModelDestroy * const modelDestroy);
/**
** \brief \copybrief KIM::LogPrintFunction
**
** \sa KIM::LogPrintFunction,
** kim_log_module::kim_log_push_default_print_function
**
** \since 2.2
**/
typedef int KIM_LogPrintFunction(char const * const entryString);
#endif /* KIM_FUNCTION_TYPES_H_ */
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