87 lines
1.9 KiB
C++
87 lines
1.9 KiB
C++
/* -*- c++ -*- ----------------------------------------------------------
|
|
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
|
https://www.lammps.org/, 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
|
|
// clang-format off
|
|
FixStyle(halt,FixHalt);
|
|
// clang-format on
|
|
#else
|
|
|
|
#ifndef LMP_FIX_HALT_H
|
|
#define LMP_FIX_HALT_H
|
|
|
|
#include "fix.h"
|
|
|
|
namespace LAMMPS_NS {
|
|
|
|
class FixHalt : public Fix {
|
|
public:
|
|
FixHalt(class LAMMPS *, int, char **);
|
|
~FixHalt() override;
|
|
int setmask() override;
|
|
void init() override;
|
|
void end_of_step() override;
|
|
void min_post_force(int) override;
|
|
void post_run() override;
|
|
|
|
private:
|
|
int attribute, operation, eflag, msgflag, ivar;
|
|
bigint nextstep, thisstep;
|
|
double value, tratio;
|
|
char *idvar;
|
|
char *dlimit_path;
|
|
|
|
double bondmax();
|
|
double tlimit();
|
|
double diskfree();
|
|
};
|
|
|
|
} // namespace LAMMPS_NS
|
|
|
|
#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: Could not find fix halt variable name
|
|
|
|
Self-explanatory.
|
|
|
|
E: Fix halt variable is not equal-style variable
|
|
|
|
Self-explanatory.
|
|
|
|
E: Invalid fix halt attribute
|
|
|
|
Self-explanatory.
|
|
|
|
E: Invalid fix halt operator
|
|
|
|
Self-explanatory.
|
|
|
|
E: Disk limit not supported by OS or illegal path
|
|
|
|
Self-explanatory.
|
|
|
|
W: Fix halt condition for fix-id %s met on step %ld with value %g
|
|
|
|
Self explanatory.
|
|
|
|
*/
|