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fix_nve_tri.h
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Thu, Aug 22, 07:55
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rLAMMPS lammps
fix_nve_tri.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 FIX_CLASS
FixStyle(nve/tri,FixNVETri)
#else
#ifndef LMP_FIX_NVE_TRI_H
#define LMP_FIX_NVE_TRI_H
#include "fix_nve.h"
namespace LAMMPS_NS {
class FixNVETri : public FixNVE {
public:
FixNVETri(class LAMMPS *, int, char **);
~FixNVETri() {}
int setmask();
void init();
void initial_integrate(int);
void final_integrate();
private:
double dtq;
class AtomVecTri *avec;
};
}
#endif
#endif
/* ERROR/WARNING messages:
E: Illegal ... command
Self-explanatory. Check the input script syntax and compare to the
documentation for the command. You can use -echo screen as a
command-line option when running LAMMPS to see the offending line.
E: Fix nve/tri requires atom style tri
Self-explanatory.
E: Fix nve/tri can only be used for 3d simulations
Self-explanatory.
E: Fix nve/tri requires tri particles
Self-explanatory.
*/
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