Files
lammps/src/minimize.h
2021-05-24 14:18:20 -04:00

61 lines
1.5 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 COMMAND_CLASS
// clang-format off
CommandStyle(minimize,Minimize);
// clang-format on
#else
#ifndef LMP_MINIMIZE_H
#define LMP_MINIMIZE_H
#include "command.h"
namespace LAMMPS_NS {
class Minimize : public Command {
public:
Minimize(class LAMMPS *);
void command(int, char **);
};
} // 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: Minimize command before simulation box is defined
The minimize command cannot be used before a read_data, read_restart,
or create_box command.
E: Too many iterations
You must use a number of iterations that fit in a 32-bit integer
for minimization.
E: Cannot yet use minimize with Kokkos
This feature is not yet supported.
*/