mirror of https://github.com/lammps/lammps.git
60 lines
1.4 KiB
C++
60 lines
1.4 KiB
C++
/* -*- c++ -*- ----------------------------------------------------------
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LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
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http://lammps.sandia.gov, Sandia National Laboratories
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Steve Plimpton, sjplimp@sandia.gov
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Copyright (2003) Sandia Corporation. Under the terms of Contract
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DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
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certain rights in this software. This software is distributed under
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the GNU General Public License.
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See the README file in the top-level LAMMPS directory.
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------------------------------------------------------------------------- */
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#ifdef MINIMIZE_CLASS
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MinimizeStyle(spin,MinSpin)
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#else
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#ifndef LMP_MIN_SPIN_H
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#define LMP_MIN_SPIN_H
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#include "min.h"
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namespace LAMMPS_NS {
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class MinSpin : public Min {
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public:
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MinSpin(class LAMMPS *);
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~MinSpin() {}
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void init();
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void setup_style();
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int modify_param(int, char **);
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void reset_vectors();
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int iterate(int);
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double evaluate_dt();
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void advance_spins(double);
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double fmnorm_sqr();
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private:
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// global and spin timesteps
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double dt;
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double dts;
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double alpha_damp; // damping for spin minimization
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double discrete_factor; // factor for spin timestep evaluation
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double *spvec; // variables for atomic dof, as 1d vector
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double *fmvec; // variables for atomic dof, as 1d vector
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bigint last_negative;
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};
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}
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#endif
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#endif
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