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fix_heat.h
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Thu, May 23, 12:05

fix_heat.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(heat,FixHeat)
#else
#ifndef LMP_FIX_HEAT_H
#define LMP_FIX_HEAT_H
#include "fix.h"
namespace LAMMPS_NS {
class FixHeat : public Fix {
public:
FixHeat(class LAMMPS *, int, char **);
~FixHeat();
int setmask();
void init();
void end_of_step();
double compute_scalar();
double memory_usage();
private:
int iregion;
double heat_input;
double masstotal;
double scale;
char *idregion;
char *hstr;
int hstyle,hvar;
int maxatom;
double *vheat;
double *vscale;
};
}
#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: Region ID for fix heat does not exist
Self-explanatory.
E: Variable name for fix heat does not exist
Self-explanatory.
E: Variable for fix heat is invalid style
Only equal-style or atom-style variables can be used.
E: Fix heat group has no atoms
Self-explanatory.
E: Fix heat kinetic energy went negative
This will cause the velocity rescaling about to be performed by fix
heat to be invalid.
E: Fix heat kinetic energy of an atom went negative
This will cause the velocity rescaling about to be performed by fix
heat to be invalid.
*/

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