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lammps/src/fix_indent.h
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fix_indent.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(indent,FixIndent)
#else
#ifndef LMP_FIX_INDENT_H
#define LMP_FIX_INDENT_H
#include "fix.h"
namespace LAMMPS_NS {
class FixIndent : public Fix {
public:
FixIndent(class LAMMPS *, int, char **);
~FixIndent();
int setmask();
void init();
void setup(int);
void min_setup(int);
void post_force(int);
void post_force_respa(int, int, int);
void min_post_force(int);
double compute_scalar();
double compute_vector(int);
private:
int istyle,scaleflag,thermo_flag,eflag_enable,side;
double k,k3;
char *xstr,*ystr,*zstr,*rstr,*pstr;
int xvar,yvar,zvar,rvar,pvar;
double xvalue,yvalue,zvalue,rvalue,pvalue;
int indenter_flag,planeside;
double indenter[4],indenter_all[4];
int cdim,varflag;
int nlevels_respa;
void options(int, char **);
};
}
#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: Use of fix indent with undefined lattice
The lattice command must be used to define a lattice before using the
fix indent command.
E: Variable name for fix indent does not exist
Self-explanatory.
E: Variable for fix indent is invalid style
Only equal-style variables can be used.
E: Variable for fix indent is not equal style
Only equal-style variables can be used.
*/
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