103 lines
2.4 KiB
C++
103 lines
2.4 KiB
C++
/* -*- c++ -*- ----------------------------------------------------------
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LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
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https://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 PAIR_CLASS
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PairStyle(brownian,PairBrownian)
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#else
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#ifndef LMP_PAIR_BROWNIAN_H
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#define LMP_PAIR_BROWNIAN_H
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#include "pair.h"
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namespace LAMMPS_NS {
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class PairBrownian : public Pair {
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public:
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PairBrownian(class LAMMPS *);
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virtual ~PairBrownian();
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virtual void compute(int, int);
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void settings(int, char **);
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void coeff(int, char **);
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virtual double init_one(int, int);
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virtual void init_style();
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void write_restart(FILE *);
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void read_restart(FILE *);
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void write_restart_settings(FILE *);
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void read_restart_settings(FILE *);
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protected:
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double cut_inner_global,cut_global;
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double t_target,mu;
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int flaglog,flagfld;
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int flagHI, flagVF;
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int flagdeform, flagwall;
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double vol_P;
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double rad;
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class FixWall *wallfix;
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int seed;
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double **cut_inner,**cut;
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double R0,RT0;
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class RanMars *random;
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void set_3_orthogonal_vectors(double*,double*,double*);
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void allocate();
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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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W: Cannot include log terms without 1/r terms; setting flagHI to 1
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Self-explanatory.
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E: Incorrect args for pair coefficients
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Self-explanatory. Check the input script or data file.
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E: Pair brownian requires atom style sphere
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Self-explanatory.
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W: Pair brownian needs newton pair on for momentum conservation
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Self-explanatory.
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E: Pair brownian requires extended particles
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One of the particles has radius 0.0.
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E: Pair brownian requires monodisperse particles
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All particles must be the same finite size.
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E: Cannot use multiple fix wall commands with pair brownian
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Self-explanatory.
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*/
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