/usr/include/liggghts/primitive_wall.h is in libliggghts-dev 3.0.3+repack-2.
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 | /* ----------------------------------------------------------------------
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.
------------------------------------------------------------------------- */
/* ----------------------------------------------------------------------
Contributing authors:
Christoph Kloss (JKU Linz, DCS Computing GmbH, Linz)
Philippe Seil (JKU Linz)
------------------------------------------------------------------------- */
#ifndef LMP_PRIMITIVE_WALL
#define LMP_PRIMITIVE_WALL
#include "container.h"
#include "neighbor.h"
#include "primitive_wall_definitions.h"
namespace LAMMPS_NS
{
/*
* class PrimitiveWall only holds logic for resolving contacts, neighbor list and contact tracking
*/
class PrimitiveWall : protected Pointers
{
public:
PrimitiveWall(LAMMPS *lmp,PRIMITIVE_WALL_DEFINITIONS::WallType wType_, int nParam_, double *param_)
: Pointers(lmp), neighlist("neighlist"), wType(wType_), nParam(nParam_)
{
param = new double[nParam];
for(int i=0;i<nParam;i++)
param[i] = param_[i];
}
virtual ~PrimitiveWall()
{
delete []param;
}
inline int getNeighbors(int *&contactPtr);
inline void handleContact(int iPart,double *&c_history);
inline void handleNoContact(int iPart);
inline void setContactHistorySize(int nPart);
inline void buildNeighList(double neighCutoff, double **x, double *r, int nPart);
inline double resolveContact(double *x, double r, double *delta);
inline bool resolveNeighlist(double *x, double r, double treshold);
inline int axis();
inline double calcRadialDistance(double *pos, double *distvec);
inline int isNear(int iPart,double treshold);
private:
ScalarContainer<int> neighlist;
PRIMITIVE_WALL_DEFINITIONS::WallType wType;
double *param;
int nParam;
};
/*
* implementation of class PrimitiveWall starts here
*/
double PrimitiveWall::resolveContact(double *x, double r, double *delta)
{
return PRIMITIVE_WALL_DEFINITIONS::chooseContactTemplate(x, r, delta, param, wType);
}
int PrimitiveWall::axis()
{
return PRIMITIVE_WALL_DEFINITIONS::chooseAxis(wType);
}
double PrimitiveWall::calcRadialDistance(double *pos, double *distvec)
{
return PRIMITIVE_WALL_DEFINITIONS::chooseCalcRadialDistance(pos, param, distvec[0],distvec[1],distvec[2], wType);
}
bool PrimitiveWall::resolveNeighlist(double *x, double r, double treshold)
{
return PRIMITIVE_WALL_DEFINITIONS::chooseNeighlistTemplate(x,r,treshold,param,wType);
}
int PrimitiveWall::getNeighbors(int *&contactPtr)
{
contactPtr = neighlist.begin();
return neighlist.size();
}
void PrimitiveWall::buildNeighList(double treshold, double **x, double *r, int nPart)
{
neighlist.clearContainer();
for(int iPart=0;iPart<nPart;iPart++)
{
if(resolveNeighlist(x[iPart],r?r[iPart]:0.,treshold))
neighlist.add(iPart);
}
}
int PrimitiveWall::isNear(int iPart,double treshold)
{
if(resolveNeighlist(atom->x[iPart],atom->radius?atom->radius[iPart]:0.,treshold))
return 1;
return 0;
}
} /* namespace LAMMPS_NS */
#endif /* PRIMITIVEWALL_H_ */
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