/usr/include/liggghts/fix_template_multiplespheres.h is in libliggghts-dev 2.3.8-1build1.
This file is owned by root:root, with mode 0o644.
The actual contents of the file can be viewed below.
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 | /* ----------------------------------------------------------------------
LIGGGHTS - LAMMPS Improved for General Granular and Granular Heat
Transfer Simulations
LIGGGHTS is part of the CFDEMproject
www.liggghts.com | www.cfdem.com
Christoph Kloss, christoph.kloss@cfdem.com
Copyright 2009-2012 JKU Linz
Copyright 2012- DCS Computing GmbH, Linz
LIGGGHTS is based on LAMMPS
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
http://lammps.sandia.gov, Sandia National Laboratories
Steve Plimpton, sjplimp@sandia.gov
This software is distributed under the GNU General Public License.
See the README file in the top-level directory.
------------------------------------------------------------------------- */
#ifdef FIX_CLASS
FixStyle(particletemplate/multiplespheres,FixTemplateMultiplespheres)
#else
#ifndef LMP_FIX_TEMPLATE_MULTIPLESPHERES_H
#define LMP_FIX_TEMPLATE_MULTIPLESPHERES_H
#include "fix.h"
#include "fix_template_sphere.h"
namespace LAMMPS_NS {
class FixTemplateMultiplespheres : public FixTemplateSphere {
public:
FixTemplateMultiplespheres(class LAMMPS *, int, char **);
virtual ~FixTemplateMultiplespheres();
virtual void post_create();
double max_r_bound();
double max_rad();
double min_rad();
int number_spheres();
// single insertion
virtual void randomize_single();
// multi insertion
virtual void init_ptilist(int);
void randomize_ptilist(int ,int );
virtual void finalize_insertion() {}
protected:
// template calculations
virtual void calc_bounding_sphere();
virtual void calc_center_of_mass();
// sqr distance from x_sphere[j] to xtest
double dist_sqr(int j,double *xtest);
// generate random point in bbox
void generate_xtry(double *xtry);
// number of spheres in template
int nspheres;
// coords of each sphere with respect to center of mass
double **x_sphere;
// radius of each sphere
double *r_sphere;
// scale factor if read from a file
double scale_fact;
// bounding box
double x_min[3], x_max[3];
// bounding sphere - radius and coordinates with respect to com
double r_bound;
double x_bound[3];
// radius of sphere with equal volume
double r_equiv;
// number of tries for mc
int ntry;
};
}
#endif
#endif
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