cf77d882eb
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14517 f3b2605a-c512-4ea7-a41b-209d697bcdaa
61 lines
1.5 KiB
C++
61 lines
1.5 KiB
C++
/* -*- 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 COMMAND_CLASS
|
|
|
|
CommandStyle(minimize,Minimize)
|
|
|
|
#else
|
|
|
|
#ifndef LMP_MINIMIZE_H
|
|
#define LMP_MINIMIZE_H
|
|
|
|
#include "pointers.h"
|
|
|
|
namespace LAMMPS_NS {
|
|
|
|
class Minimize : protected Pointers {
|
|
public:
|
|
Minimize(class LAMMPS *);
|
|
void command(int, char **);
|
|
};
|
|
|
|
}
|
|
|
|
#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.
|
|
|
|
*/
|