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lammps/src/USER-SMD/pair_smd_triangulated_surface.h
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pair_smd_triangulated_surface.h
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/* -*- c++ -*- ----------------------------------------------------------
*
* *** Smooth Mach Dynamics ***
*
* This file is part of the USER-SMD package for LAMMPS.
* Copyright (2014) Georg C. Ganzenmueller, georg.ganzenmueller@emi.fhg.de
* Fraunhofer Ernst-Mach Institute for High-Speed Dynamics, EMI,
* Eckerstrasse 4, D-79104 Freiburg i.Br, Germany.
*
* ----------------------------------------------------------------------- */
/* ----------------------------------------------------------------------
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 PAIR_CLASS
PairStyle(smd/tri_surface,PairTriSurf)
#else
#ifndef LMP_SMD_TRI_SURFACE_H
#define LMP_SMD_TRI_SURFACE_H
#include "pair.h"
#include <Eigen/Eigen>
namespace LAMMPS_NS {
class PairTriSurf : public Pair {
public:
PairTriSurf(class LAMMPS *);
virtual ~PairTriSurf();
virtual void compute(int, int);
void settings(int, char **);
void coeff(int, char **);
double init_one(int, int);
void init_style();
void init_list(int, class NeighList *);
virtual double memory_usage();
void PointTriangleDistance(const Eigen::Vector3d P, const Eigen::Vector3d TRI1, const Eigen::Vector3d TRI2, const Eigen::Vector3d TRI3,
Eigen::Vector3d &CP, double &dist);
double clamp(const double a, const double min, const double max);
void *extract(const char *, int &);
protected:
double **bulkmodulus;
double **kn;
double *onerad_dynamic,*onerad_frozen;
double *maxrad_dynamic,*maxrad_frozen;
double scale;
double stable_time_increment; // stable time step size
void allocate();
};
}
#endif
#endif
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