MD-Bench/gromacs/includes/pbc.h
2023-05-09 00:44:37 +02:00

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662 B
C

/*
* Copyright (C) 2022 NHR@FAU, University Erlangen-Nuremberg.
* All rights reserved. This file is part of MD-Bench.
* Use of this source code is governed by a LGPL-3.0
* license that can be found in the LICENSE file.
*/
#include <atom.h>
#include <parameter.h>
#ifndef __PBC_H_
#define __PBC_H_
extern void initPbc();
extern void cpuUpdatePbc(Atom*, Parameter*, int);
extern void updateAtomsPbc(Atom*, Parameter*);
extern void setupPbc(Atom*, Parameter*);
#ifdef CUDA_TARGET
extern void cudaUpdatePbc(Atom*, Parameter*, int);
#if defined(USE_SUPER_CLUSTERS)
extern void setupPbcGPU(Atom*, Parameter*);
#endif //defined(USE_SUPER_CLUSTERS)
#endif
#endif