54 lines
1.3 KiB
C++
Executable File
54 lines
1.3 KiB
C++
Executable File
/* -*- c++ -*- ----------------------------------------------------------
|
|
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(msm/omp,MSMOMP)
|
|
|
|
#else
|
|
|
|
#ifndef LMP_MSM_OMP_H
|
|
#define LMP_MSM_OMP_H
|
|
|
|
#include "msm.h"
|
|
#include "thr_omp.h"
|
|
|
|
namespace LAMMPS_NS {
|
|
|
|
class MSMOMP : public MSM, public ThrOMP {
|
|
public:
|
|
MSMOMP(class LAMMPS *, int, char **);
|
|
virtual ~MSMOMP () {};
|
|
|
|
protected:
|
|
virtual void direct(int);
|
|
virtual void compute(int,int);
|
|
|
|
private:
|
|
template <int, int, int> void direct_eval(int);
|
|
template <int> void direct_peratom(int);
|
|
|
|
};
|
|
|
|
}
|
|
|
|
#endif
|
|
#endif
|
|
|
|
/* ERROR/WARNING messages:
|
|
|
|
E: Must use 'kspace_modify pressure/scalar no' with kspace_style msm/omp
|
|
|
|
The kspace scalar pressure option is not compatible with kspace_style msm/omp.
|
|
|
|
*/ |