forked from lijiext/lammps
75 lines
1.8 KiB
C++
75 lines
1.8 KiB
C++
/* -*- c++ -*- ----------------------------------------------------------
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LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
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http://lammps.sandia.gov, Sandia National Laboratories
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Steve Plimpton, sjplimp@sandia.gov
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Copyright (2003) Sandia Corporation. Under the terms of Contract
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DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
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certain rights in this software. This software is distributed under
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the GNU General Public License.
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See the README file in the top-level LAMMPS directory.
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------------------------------------------------------------------------- */
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#ifdef FIX_CLASS
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FixStyle(nve/sphere,FixNVESphere)
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#else
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#ifndef LMP_FIX_NVE_SPHERE_H
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#define LMP_FIX_NVE_SPHERE_H
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#include "fix_nve.h"
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namespace LAMMPS_NS {
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class FixNVESphere : public FixNVE {
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public:
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FixNVESphere(class LAMMPS *, int, char **);
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virtual ~FixNVESphere() {}
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void init();
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virtual void initial_integrate(int);
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virtual void final_integrate();
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protected:
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double inertia;
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int extra;
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int dlm;
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};
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}
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#endif
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#endif
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/* ERROR/WARNING messages:
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E: Illegal ... command
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Self-explanatory. Check the input script syntax and compare to the
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documentation for the command. You can use -echo screen as a
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command-line option when running LAMMPS to see the offending line.
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E: Fix nve/sphere disc requires 2d simulation
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UNDOCUMENTED
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E: Fix nve/sphere requires atom style sphere
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Self-explanatory.
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E: Fix nve/sphere update dipole requires atom attribute mu
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An atom style with this attribute is needed.
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E: Fix nve/sphere requires extended particles
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This fix can only be used for particles of a finite size.
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U: Fix nve/sphere dlm must be used with update dipole
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The DLM algorithm can only be used in conjunction with update dipole.
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*/
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