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fix_rigid_npt.h
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Sun, Nov 10, 03:22

fix_rigid_npt.h

/* -*- 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(rigid/npt,FixRigidNPT)
#else
#ifndef LMP_FIX_RIGID_NPT_H
#define LMP_FIX_RIGID_NPT_H
#include "fix_rigid_nh.h"
namespace LAMMPS_NS {
class FixRigidNPT : public FixRigidNH {
public:
FixRigidNPT(class LAMMPS *, int, char **);
~FixRigidNPT() {}
};
}
#endif
#endif
/* ERROR/WARNING messages:
E: Did not set temperature or pressure for fix rigid/npt
The temp and press keywords must be specified.
E: Target temperature for fix rigid/npt cannot be 0.0
Self-explanatory.
E: Fix rigid/npt period must be > 0.0
Self-explanatory.
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 rigid/npt temperature order must be 3 or 5
Self-explanatory.
*/

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