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dump_image.h
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Thu, Jun 27, 22:58

dump_image.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 DUMP_CLASS
DumpStyle(image,DumpImage)
#else
#ifndef LMP_DUMP_IMAGE_H
#define LMP_DUMP_IMAGE_H
#include "dump_custom.h"
namespace LAMMPS_NS {
class DumpImage : public DumpCustom {
public:
DumpImage(class LAMMPS *, int, char**);
~DumpImage();
int pack_comm(int, int *, double *, int, int *);
void unpack_comm(int, int, double *);
private:
int filetype;
int acolor,adiam; // what determines color/diam of atoms
double adiamvalue; // atom diameter value
int atomflag,bondflag; // 0/1 for draw atoms,bonds
int bcolor,bdiam; // what determines color/diam of bonds
double bdiamvalue; // bond diameter value
char *thetastr,*phistr; // variables for view theta,phi
int thetavar,phivar; // index to theta,phi vars
int cflag; // static/dynamic box center
double cx,cy,cz; // fractional box center
char *cxstr,*cystr,*czstr; // variables for box center
int cxvar,cyvar,czvar; // index to box center vars
char *upxstr,*upystr,*upzstr; // view up vector variables
int upxvar,upyvar,upzvar; // index to up vector vars
char *zoomstr,*perspstr; // view zoom and perspective variables
int zoomvar,perspvar; // index to zoom,persp vars
int boxflag,axesflag; // 0/1 for draw box and axes
double boxdiam,axeslen,axesdiam; // params for drawing box and axes
int viewflag; // overall view is static or dynamic
double *diamtype,*diamelement,*bdiamtype; // per-type diameters
double **colortype,**colorelement,**bcolortype; // per-type colors
class Image *image; // class that renders each image
double **bufcopy; // buffer for communicating bond/atom info
int maxbufcopy;
void init_style();
int modify_param(int, char **);
void write();
void box_center();
void view_params();
void box_bounds();
void create_image();
};
}
#endif
#endif
/* ERROR/WARNING messages:
E: Invalid dump image filename
The file produced by dump image cannot be binary and must
be for a single processor.
E: Cannot dump JPG file
LAMMPS was not built with the -DLAMMPS_JPEG switch in the Makefile.
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: Dump image bond not allowed with no bond types
Self-explanatory.
E: Invalid dump image theta value
Theta must be between 0.0 and 180.0 inclusive.
E: Dump image persp option is not yet supported
Self-explanatory.
E: Dump image requires one snapshot per file
Use a "*" in the filename.
E: Dump image cannot perform sorting
Self-explanatory.
E: Variable name for dump image theta does not exist
Self-explanatory.
E: Variable for dump image theta is invalid style
Must be an equal-style variable.
E: Variable name for dump image phi does not exist
Self-explanatory.
E: Variable for dump image phi is invalid style
Must be an equal-style variable.
E: Variable name for dump image center does not exist
Self-explanatory.
E: Variable for dump image center is invalid style
Must be an equal-style variable.
E: Variable name for dump image zoom does not exist
Self-explanatory.
E: Variable for dump image zoom is invalid style
Must be an equal-style variable.
E: Variable name for dump image persp does not exist
Self-explanatory.
E: Variable for dump image persp is invalid style
Must be an equal-style variable.
E: Invalid dump image element name
The specified element name was not in the standard list of elements.
See the dump_modify doc page.
E: Invalid dump image zoom value
Zoom value must be > 0.0.
E: Invalid dump image persp value
Persp value must be >= 0.0.
E: Invalid color in dump_modify command
The specified color name was not in the list of recognized colors.
See the dump_modify doc page.
E: Dump modify bcolor not allowed with no bond types
Self-explanatory.
E: Dump modify bdiam not allowed with no bond types
Self-explanatory.
*/

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