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lammps/src/SRD/fix_wall_srd.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(wall/srd,FixWallSRD)
#else
#ifndef LMP_FIX_WALL_SRD_H
#define LMP_FIX_WALL_SRD_H
#include "fix.h"
namespace LAMMPS_NS {
class FixWallSRD : public Fix {
public:
int nwall,varflag,overlap;
int wallwhich[6];
double xwall[6],xwallhold[6],vwall[6];
double **fwall;
FixWallSRD(class LAMMPS *, int, char **);
~FixWallSRD();
int setmask();
void init();
double compute_array(int, int);
void wall_params(int);
private:
int wallstyle[6];
double coord0[6];
char *varstr[6];
int varindex[6];
double dt;
double xwalllast[6];
bigint laststep;
double **fwall_all;
int force_flag;
};
}
#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: Wall defined twice in fix wall/srd command
Self-explanatory.
E: Cannot use fix wall/srd in periodic dimension
Self-explanatory.
E: Cannot use fix wall/srd zlo/zhi for a 2d simulation
Self-explanatory.
E: Use of fix wall with undefined lattice
Must use lattice command with fix wall command if units option is set
to lattice.
E: Cannot use fix wall/srd without fix srd
Self-explanatory.
E: Variable name for fix wall/srd does not exist
Self-explanatory.
E: Variable for fix wall/srd is invalid style
Only equal-style variables can be used.
*/
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