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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 MINIMIZE_CLASS
MinimizeStyle(spin,MinSpin)
#else
#ifndef LMP_MIN_SPIN_H
#define LMP_MIN_SPIN_H
#include "min.h"
namespace LAMMPS_NS {
class MinSpin : public Min {
public:
MinSpin(class LAMMPS *);
~MinSpin() {}
void init();
void setup_style();
int modify_param(int, char **);
void reset_vectors();
int iterate(int);
double evaluate_dt();
void advance_spins(double);
double fmnorm_sqr();
private:
// global and spin timesteps
double dt;
double dts;
double alpha_damp; // damping for spin minimization
double discrete_factor; // factor for spin timestep evaluation
double *spvec; // variables for atomic dof, as 1d vector
double *fmvec; // variables for atomic dof, as 1d vector
bigint last_negative;
};
}
#endif
#endif