lammps-sys 0.6.0

Generates bindings to LAMMPS' C interface (with optional builds from source)
Documentation
/* -*- 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/ulsph,PairULSPH)

#else

#ifndef LMP_ULSPH_H
#define LMP_ULSPH_H

#include "pair.h"
#include <Eigen/Eigen>

namespace LAMMPS_NS {

class PairULSPH: public Pair {
public:
        PairULSPH(class LAMMPS *);
        virtual ~PairULSPH();
        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();
        int pack_forward_comm(int, int *, double *, int, int *);
        void unpack_forward_comm(int, int, double *);
        void AssembleStressTensor();
        void *extract(const char *, int &);
        void PreCompute();
        void PreCompute_DensitySummation();
        double effective_shear_modulus(const Eigen::Matrix3d d_dev, const Eigen::Matrix3d deltaStressDev, const double dt, const int itype);

        Eigen::Vector3d ComputeHourglassForce(const int i, const int itype, const int j, const int jtype, const Eigen::Vector3d dv,
                        const Eigen::Vector3d xij, const Eigen::Vector3d g, const double c_ij, const double mu_ij, const double rho_ij);

protected:

        double *c0_type; // reference speed of sound defined per particle type
        double *rho0; // reference mass density per type
        double *Q1; // linear artificial viscosity coeff
        int *eos, *viscosity, *strength; // eos and strength material models
        double **artificial_pressure; // true/false: use Monaghan's artificial pressure correction?
        double **artificial_stress; // artificial stress amplitude

        double *onerad_dynamic, *onerad_frozen;
        double *maxrad_dynamic, *maxrad_frozen;

        void allocate();

        int nmax; // max number of atoms on this proc
        int *numNeighs;
        Eigen::Matrix3d *K;
        double *shepardWeight, *c0, *rho;
        Eigen::Vector3d *smoothVel;
        Eigen::Matrix3d *stressTensor, *L, *F;

        double dtCFL;

private:

        // enumerate EOSs. MUST BE IN THE RANGE [1000, 2000)
        enum {
                EOS_LINEAR = 1000, EOS_PERFECT_GAS = 1001, EOS_TAIT = 1002,
        };

        // enumerate physical viscosity models. MUST BE IN THE RANGE [2000, 3000)
        enum {
                VISCOSITY_NEWTON = 2000
        };

        // enumerate strength models. MUST BE IN THE RANGE [3000, 4000)
        enum {
                STRENGTH_LINEAR = 3000, STRENGTH_LINEAR_PLASTIC = 3001
        };

        // enumerate some quantitities and associate these with integer values such that they can be used for lookup in an array structure
        enum {
                NONE = 0,
                BULK_MODULUS = 1,
                HOURGLASS_CONTROL_AMPLITUDE = 2,
                EOS_TAIT_EXPONENT = 3,
                REFERENCE_SOUNDSPEED = 4,
                REFERENCE_DENSITY = 5,
                EOS_PERFECT_GAS_GAMMA = 6,
                SHEAR_MODULUS = 7,
                YIELD_STRENGTH = 8,
                YOUNGS_MODULUS = 9,
                POISSON_RATIO = 10,
                LAME_LAMBDA = 11,
                HEAT_CAPACITY = 12,
                M_MODULUS = 13,
                HARDENING_PARAMETER = 14,
                VISCOSITY_MU = 15,
                MAX_KEY_VALUE = 16
        };
        double **Lookup; // holds per-type material parameters for the quantities defined in enum statement above.

        bool velocity_gradient_required;
        int updateFlag; // indicates if any relative particle pair movement is significant compared to smoothing length


        bool density_summation, density_continuity, velocity_gradient, gradient_correction_flag;
        double *effm;

};

}

#endif
#endif