46 lines
1.2 KiB
C++
46 lines
1.2 KiB
C++
/* ----------------------------------------------------------------------
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LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
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http://lammps.sandia.gov, Sandia National Laboratories
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Steve Plimpton, sjplimp@sandia.gov
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Copyright (2003) Sandia Corporation. Under the terms of Contract
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DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
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certain rights in this software. This software is distributed under
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the GNU General Public License.
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See the README file in the top-level LAMMPS directory.
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------------------------------------------------------------------------- */
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#ifndef KSPACE_H
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#define KSPACE_H
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#include "pointers.h"
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namespace LAMMPS_NS {
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class KSpace : protected Pointers {
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public:
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double energy;
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double virial[6];
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double g_ewald;
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double slab_volfactor;
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int gridflag,gewaldflag;
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int nx_pppm,ny_pppm,nz_pppm;
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int order;
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int slabflag;
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KSpace(class LAMMPS *, int, char **);
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virtual ~KSpace() {}
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void modify_params(int, char **);
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virtual void init() = 0;
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virtual void setup() = 0;
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virtual void compute(int, int) = 0;
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virtual void timing(int, double &, double &) {}
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virtual int memory_usage() {return 0;}
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};
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}
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#endif
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