/usr/include/liggghts/domain_I.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 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 | /* ----------------------------------------------------------------------
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.
------------------------------------------------------------------------- */
#ifndef LMP_DOMAIN_I_H
#define LMP_DOMAIN_I_H
using namespace LAMMPS_NS;
/* ----------------------------------------------------------------------
check if coordinate in domain, subdomain or extended subdomain
need to test with <= and >= for domain, and < and >= for subdomain
inlined for performance
------------------------------------------------------------------------- */
inline int Domain::is_in_domain(double* pos)
{
if(is_wedge)
return is_in_domain_wedge(pos);
if
(
pos[0] >= boxlo[0] && pos[0] <= boxhi[0] &&
pos[1] >= boxlo[1] && pos[1] <= boxhi[1] &&
pos[2] >= boxlo[2] && pos[2] <= boxhi[2]
) return 1;
return 0;
}
inline int Domain::is_in_subdomain(double* pos)
{
if(is_wedge)
return is_in_subdomain_wedge(pos);
double checkhi[3];
// need to test with and < and >= for subdomain
// but need to ensure elements right at boxhi
// are tested correctly
if(subhi[0] == boxhi[0])
checkhi[0] = boxhi[0] + SMALL_DMBRDR;
else
checkhi[0] = subhi[0];
if(subhi[1] == boxhi[1])
checkhi[1] = boxhi[1] + SMALL_DMBRDR;
else
checkhi[1] = subhi[1];
if(subhi[2] == boxhi[2])
checkhi[2] = boxhi[2] + SMALL_DMBRDR;
else
checkhi[2] = subhi[2];
if ( pos[0] >= sublo[0] && pos[0] < checkhi[0] &&
pos[1] >= sublo[1] && pos[1] < checkhi[1] &&
pos[2] >= sublo[2] && pos[2] < checkhi[2])
return 1;
return 0;
}
inline int Domain::is_in_extended_subdomain(double* pos)
{
if(is_wedge)
return is_in_extended_subdomain_wedge(pos);
// called on insertion
// yields true if particle would be in subdomain after box extension
if (is_in_subdomain(pos))
return 1;
else if (dimension == 2)
error->all(FLERR,"Domain::is_in_extended_subdomain() not implemented for 2d");
else
{
bool flag = true;
for(int idim = 0; idim < 3; idim++)
{
if (comm->procgrid[idim] == 1) {}
else if(comm->myloc[idim] == comm->procgrid[idim]-1)
flag = flag && (pos[idim] >= sublo[idim]);
else if(comm->myloc[idim] == 0)
flag = flag && (pos[idim] <= subhi[idim]);
else
flag = flag && (pos[idim] >= sublo[idim] && pos[idim] < subhi[idim]);
}
if(flag) return 1;
return 0;
}
return 0;
}
/* ----------------------------------------------------------------------
check distance from borders of subbox
------------------------------------------------------------------------- */
inline double Domain::dist_subbox_borders(double* pos)
{
if(is_wedge)
return dist_subbox_borders_wedge(pos);
double deltalo[3], deltahi[3], dlo, dhi;
vectorSubtract3D(sublo,pos,deltalo);
vectorSubtract3D(subhi,pos,deltahi);
vectorAbs3D(deltalo);
vectorAbs3D(deltahi);
dlo = vectorMin3D(deltalo);
dhi = vectorMin3D(deltahi);
if(dlo < dhi)
return dlo;
return dhi;
}
/* ----------------------------------------------------------------------
domain check - not used very often, so not inlined
------------------------------------------------------------------------- */
inline int Domain::is_periodic_ghost(int i)
{
if(is_wedge)
return is_periodic_ghost_wedge(i);
int idim;
int nlocal = atom->nlocal;
double *x = atom->x[i];
double halfskin = 0.5*neighbor->skin;
if(i < nlocal) return 0;
else
{
for(idim = 0; idim < 3; idim++)
if ((x[idim] < (boxlo[idim]+halfskin) || x[idim] > (boxhi[idim]-halfskin)) && periodicity[idim])
return 1;
}
return 0;
}
/* ----------------------------------------------------------------------
check if atom is the true representation of the particle on this subdomain
used when tallying stats across owned and ghost particles
------------------------------------------------------------------------- */
inline bool Domain::is_owned_or_first_ghost(int i)
{
if(!atom->tag_enable)
error->one(FLERR,"The current simulation setup requires atoms to have tags");
if(0 == atom->map_style)
error->one(FLERR,"The current simulation setup requires an 'atom_modify map' command to allocate an atom map");
if(i == atom->map(atom->tag[i]))
return true;
return false;
}
#endif
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