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lammps/src/SHOCK/fix_append_atoms.h
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fix_append_atoms.h
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/* ----------------------------------------------------------------------
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(append/atoms,FixAppendAtoms)
#else
#ifndef FIX_APPEND_ATOMS_H
#define FIX_APPEND_ATOMS_H
#include "fix.h"
namespace LAMMPS_NS {
class FixAppendAtoms : public Fix {
public:
FixAppendAtoms(class LAMMPS *, int, char **);
~FixAppendAtoms();
int setmask();
void setup(int);
void pre_exchange();
void initial_integrate(int);
void post_force(int);
private:
int get_spatial();
int spatflag, xloflag, xhiflag, yloflag, yhiflag, zloflag, zhiflag;
int ranflag, tempflag, xseed, tseed;
double ranx, rany, ranz, t_target, t_period, t_extent;
class RanMars *randomx;
class RanMars *randomt;
int scaleflag, freq;
int nbasis;
int *basistype;
int advance,advance_sum;
double size,spatlead;
char *spatialid;
double tfactor;
double *gfactor1,*gfactor2;
};
}
#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: Fix append/atoms requires a lattice be defined
Use the lattice command for this purpose.
E: Only zhi currently implemented for fix append/atoms
Self-explanatory.
E: Append boundary must be shrink/minimum
The boundary style of the face where atoms are added
must be of type m (shrink/minimum).
E: Bad fix ID in fix append/atoms command
The value of the fix_id for keyword spatial must start with the suffix
f_.
E: Invalid basis setting in fix append/atoms command
The basis index must be between 1 to N where N is the number of basis
atoms in the lattice. The type index must be between 1 to N where N
is the number of atom types.
E: Cannot use append/atoms in periodic dimension
The boundary style of the face where atoms are added can not be of
type p (periodic).
E: Cannot append atoms to a triclinic box
The simulation box must be defined with edges alligned with the
Cartesian axes.
E: Fix ID for fix ave/spatial does not exist
Self-explanatory.
E: Too many total atoms
See the setting for bigint in the src/lmptype.h file.
*/
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