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msm_omp.h
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Sat, Nov 9, 13:09
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rLAMMPS lammps
msm_omp.h
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/* -*- 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.
*/
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