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pppm_bsct.h
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/* -*- c++ -*- ----------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
http://lammps.sandia.gov, Sandia National Laboratories
Steve Plimpton, [email protected]
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.
------------------------------------------------------------------------- */
/* ----------------------------------------------------------------------
Contributing authors: Tommi Järvi (Fh-IWM), Lars Pastewka (KIT)
------------------------------------------------------------------------- */
#ifdef KSPACE_CLASS
KSpaceStyle(pppm/bsct,PPPMBSCT)
#else
#ifndef LMP_PPPMBSCT_H
#define LMP_PPPMBSCT_H
#include "lmptype.h"
#include "mpi.h"
#include "pppm.h"
namespace LAMMPS_NS {
class PPPMBSCT : public PPPM {
public:
PPPMBSCT(class LAMMPS *);
virtual ~PPPMBSCT();
virtual void phi(FFT_SCALAR *phi); // Get electrostatic potential (phi)
protected:
virtual void phi_slabcorr(FFT_SCALAR *phi); // Get slab correction to phi
};
}
#endif
#endif