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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_MODEL_COMPUTE_ARGUMENTS_H_
#define KIM_MODEL_COMPUTE_ARGUMENTS_H_
/* Forward declarations */
#ifndef KIM_LOG_VERBOSITY_DEFINED_
#define KIM_LOG_VERBOSITY_DEFINED_
/**
** \brief Forward declaration.
**
** \since 2.0
**/
typedef struct KIM_LogVerbosity KIM_LogVerbosity;
#endif
#ifndef KIM_COMPUTE_ARGUMENT_NAME_DEFINED_
#define KIM_COMPUTE_ARGUMENT_NAME_DEFINED_
/**
** \brief Forward declaration.
**
** \since 2.0
**/
typedef struct KIM_ComputeArgumentName KIM_ComputeArgumentName;
#endif
#ifndef KIM_COMPUTE_CALLBACK_NAME_DEFINED_
#define KIM_COMPUTE_CALLBACK_NAME_DEFINED_
/**
** \brief Forward declaration.
**
** \since 2.0
**/
typedef struct KIM_ComputeCallbackName KIM_ComputeCallbackName;
#endif
#ifndef KIM_MODEL_COMPUTE_ARGUMENTS_DEFINED_
#define KIM_MODEL_COMPUTE_ARGUMENTS_DEFINED_
/**
** \brief \copybrief KIM::ModelComputeArguments
**
** \sa KIM::ModelComputeArguments,
** kim_model_compute_arguments_module::kim_model_compute_arguments_handle_type
**
** \since 2.0
**/
typedef struct KIM_ModelComputeArguments KIM_ModelComputeArguments;
#endif
/**
** \brief \copybrief KIM::ModelComputeArguments::GetNeighborList
**
** \sa KIM::ModelComputeArguments::GetNeighborList,
** kim_model_compute_arguments_module::kim_get_neighbor_list
**
** \since 2.0
**/
int KIM_ModelComputeArguments_GetNeighborList(
KIM_ModelComputeArguments const * const modelComputeArguments,
int const neighborListIndex,
int const particleNumber,
int * const numberOfNeighbors,
int const ** const neighborsOfParticle);
/**
** \brief \copybrief KIM::ModelComputeArguments::ProcessDEDrTerm
**
** \sa KIM::ModelComputeArguments::ProcessDEDrTerm,
** kim_model_compute_arguments_module::kim_process_dedr_term
**
** \since 2.0
**/
int KIM_ModelComputeArguments_ProcessDEDrTerm(
KIM_ModelComputeArguments const * const modelComputeArguments,
double const de,
double const r,
double const * const dx,
int const i,
int const j);
/**
** \brief \copybrief KIM::ModelComputeArguments::ProcessD2EDr2Term
**
** \sa KIM::ModelComputeArguments::ProcessD2EDr2Term,
** kim_model_compute_arguments_module::kim_process_d2edr2_term
**
** \since 2.0
**/
int KIM_ModelComputeArguments_ProcessD2EDr2Term(
KIM_ModelComputeArguments const * const modelComputeArguments,
double const de,
double const * const r,
double const * const dx,
int const * const i,
int const * const j);
/**
** \brief \copybrief KIM::ModelComputeArguments::GetArgumentPointer
**
** \sa KIM::ModelComputeArguments::GetArgumentPointer,
** kim_model_compute_arguments_module::kim_get_argument_pointer
**
** \since 2.0
**/
int KIM_ModelComputeArguments_GetArgumentPointerInteger(
KIM_ModelComputeArguments const * const modelComputeArguments,
KIM_ComputeArgumentName const computeArgumentName,
int ** const ptr);
/**
** \brief \copybrief KIM::ModelComputeArguments::GetArgumentPointer
**
** \sa KIM::ModelComputeArguments::GetArgumentPointer,
** kim_model_compute_arguments_module::kim_get_argument_pointer
**
** \since 2.0
**/
int KIM_ModelComputeArguments_GetArgumentPointerDouble(
KIM_ModelComputeArguments const * const modelComputeArguments,
KIM_ComputeArgumentName const computeArgumentName,
double ** const ptr);
/**
** \brief \copybrief KIM::ModelComputeArguments::IsCallbackPresent
**
** \sa KIM::ModelComputeArguments::IsCallbackPresent,
** kim_model_compute_arguments_module::kim_is_callback_present
**
** \since 2.0
**/
int KIM_ModelComputeArguments_IsCallbackPresent(
KIM_ModelComputeArguments const * const modelComputeArguments,
KIM_ComputeCallbackName const computeCallbackName,
int * const present);
/**
** \brief \copybrief KIM::ModelComputeArguments::SetModelBufferPointer
**
** \sa KIM::ModelComputeArguments::SetModelBufferPointer,
** kim_model_compute_arguments_module::kim_set_model_buffer_pointer
**
** \since 2.0
**/
void KIM_ModelComputeArguments_SetModelBufferPointer(
KIM_ModelComputeArguments * const modelComputeArguments, void * const ptr);
/**
** \brief \copybrief KIM::ModelComputeArguments::GetModelBufferPointer
**
** \sa KIM::ModelComputeArguments::GetModelBufferPointer,
** kim_model_compute_arguments_module::kim_get_model_buffer_pointer
**
** \since 2.0
**/
void KIM_ModelComputeArguments_GetModelBufferPointer(
KIM_ModelComputeArguments const * const modelComputeArguments,
void ** const ptr);
/**
** \brief \copybrief KIM::ModelComputeArguments::LogEntry
**
** \sa KIM::ModelComputeArguments::LogEntry,
** kim_model_compute_arguments_module::kim_log_entry
**
** \since 2.0
**/
void KIM_ModelComputeArguments_LogEntry(
KIM_ModelComputeArguments const * const modelComputeArguments,
KIM_LogVerbosity const logVerbosity,
char const * const message,
int const lineNumber,
char const * const fileName);
/**
** \brief \copybrief KIM::ModelComputeArguments::ToString
**
** \sa KIM::ModelComputeArguments::ToString,
** kim_model_compute_arguments_module::kim_to_string
**
** \since 2.0
**/
char const * KIM_ModelComputeArguments_ToString(
KIM_ModelComputeArguments const * const modelComputeArguments);
#endif /* KIM_MODEL_COMPUTE_ARGUMENTS_H_ */
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