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fix_append_atoms.h
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Mon, Jul 8, 04:06
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rLAMMPS lammps
fix_append_atoms.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
(
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: 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: 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: Use of fix append/atoms with undefined lattice
A lattice must be defined before using this fix.
E: Fix ID for fix ave/spatial does not exist
Self-explanatory.
E: Must define lattice to append/atoms
A lattice must be defined before using this fix.
*/
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