/usr/include/liggghts/primitive_wall.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.
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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 "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_);
virtual
~PrimitiveWall();
int getNeighbors(int *&contactPtr);
void handleContact(int iPart,double *&c_history);
void handleNoContact(int iPart);
void setContactHistorySize(int nPart);
void buildNeighList(double neighCutoff, double **x, double *r, int nPart);
double resolveContact(double *x, double r, double *delta);
bool resolveNeighlist(double *x, double r, double treshold);
int axis();
double calcRadialDistance(double *pos, double *distvec);
private:
ScalarContainer<int> neighlist;
PRIMITIVE_WALL_DEFINITIONS::WallType wType;
double *param;
int nParam;
};
/*
* implementation of class PrimitiveWall starts here
*/
PrimitiveWall::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];
}
PrimitiveWall::~PrimitiveWall()
{
delete []param;
}
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.empty();
for(int iPart=0;iPart<nPart;iPart++)
{
if(resolveNeighlist(x[iPart],r?r[iPart]:0.,treshold))
neighlist.add(iPart);
}
}
} /* namespace LAMMPS_NS */
#endif /* PRIMITIVEWALL_H_ */
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