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lammps/src/MISC/fix_deposit.h
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fix_deposit.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(deposit,FixDeposit)
#else
#ifndef LMP_FIX_DEPOSIT_H
#define LMP_FIX_DEPOSIT_H
#include "stdio.h"
#include "fix.h"
namespace LAMMPS_NS {
class FixDeposit : public Fix {
public:
int ntype; // type of deposited atom, visible to PairGran
FixDeposit(class LAMMPS *, int, char **);
~FixDeposit();
int setmask();
void init();
void pre_exchange();
void write_restart(FILE *);
void restart(char *);
private:
int ninsert,nfreq,seed;
int iregion,globalflag,localflag,maxattempt,rateflag,scaleflag,targetflag;
int mode,rigidflag,shakeflag,idnext;
double lo,hi,deltasq,nearsq,rate;
double vxlo,vxhi,vylo,vyhi,vzlo,vzhi;
double xlo,xhi,ylo,yhi,zlo,zhi;
double tx,ty,tz;
char *idregion;
char *idrigid,*idshake;
class Molecule *onemol;
int natom;
double **coords;
imageint *imageflags;
class Fix *fixrigid,*fixshake;
int nfirst,ninserted;
tagint maxtag_all;
int maxmol_all;
class RanPark *random;
void find_maxid();
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: Must specify a region in fix deposit
The region keyword must be specified with this fix.
E: Fix deposit region does not support a bounding box
Not all regions represent bounded volumes. You cannot use
such a region with the fix deposit command.
E: Fix deposit region cannot be dynamic
Only static regions can be used with fix deposit.
E: Deposition region extends outside simulation box
Self-explanatory.
E: Region ID for fix deposit does not exist
Self-explanatory.
W: Particle deposition was unsuccessful
The fix deposit command was not able to insert as many atoms as
needed. The requested volume fraction may be too high, or other atoms
may be in the insertion region.
U: Use of fix deposit with undefined lattice
Must use lattice command with compute fix deposit command if units
option is set to lattice.
*/
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