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pppm_tip4p_proxy.h
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Thu, Nov 7, 23:58

pppm_tip4p_proxy.h

/* ----------------------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
http://lammps.sandia.gov, Sandia National Laboratories
Steve Plimpton, sjplimp@sandia.gov
Copyright (2003) Sandia Corporation. Under the terms of Contract
DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
certain rights in this software. This software is distributed under
the GNU General Public License.
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#ifdef KSPACE_CLASS
KSpaceStyle(pppm/tip4p/proxy,PPPMTIP4PProxy)
#else
#ifndef LMP_PPPM_TIP4P_PROXY_H
#define LMP_PPPM_TIP4P_PROXY_H
#include "pppm_tip4p.h"
#include "thr_omp.h"
namespace LAMMPS_NS {
class PPPMTIP4PProxy : public PPPMTIP4P, public ThrOMP {
public:
PPPMTIP4PProxy(class LAMMPS *, int, char **);
virtual ~PPPMTIP4PProxy () {};
virtual void compute(int, int);
virtual void compute_proxy(int eflag, int vflag);
// setup is delayed until the compute_proxy is called
virtual void setup() { need_setup=1; };
virtual void setup_proxy();
protected:
int need_setup;
};
}
#endif
#endif

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