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fix_nve_line.h
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Tue, Oct 8, 04:45
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rLAMMPS lammps
fix_nve_line.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/line,FixNVELine)
#else
#ifndef LMP_FIX_NVE_LINE_H
#define LMP_FIX_NVE_LINE_H
#include "fix_nve.h"
namespace LAMMPS_NS {
class FixNVELine : public FixNVE {
public:
FixNVELine(class LAMMPS *, int, char **);
~FixNVELine() {}
int setmask();
void init();
void initial_integrate(int);
void final_integrate();
private:
double MINUSPI,TWOPI;
class AtomVecLine *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/line requires atom style line
Self-explanatory.
E: Fix nve/line can only be used for 2d simulations
Self-explanatory.
E: Fix nve/line requires line particles
Self-explanatory.
*/
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