/usr/include/liggghts/pair_gran.h is in libliggghts-dev 3.5.0+repack1-10.
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This is the
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╚══════╝╚═╝ ╚═════╝ ╚═════╝ ╚═════╝ ╚═╝ ╚═╝ ╚═╝ ╚══════╝®
DEM simulation engine, released by
DCS Computing Gmbh, Linz, Austria
http://www.dcs-computing.com, office@dcs-computing.com
LIGGGHTS® is part of CFDEM®project:
http://www.liggghts.com | http://www.cfdem.com
Core developer and main author:
Christoph Kloss, christoph.kloss@dcs-computing.com
LIGGGHTS® is open-source, distributed under the terms of the GNU Public
License, version 2 or later. It is distributed in the hope that it will
be useful, but WITHOUT ANY WARRANTY; without even the implied warranty
of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. You should have
received a copy of the GNU General Public License along with LIGGGHTS®.
If not, see http://www.gnu.org/licenses . See also top-level README
and LICENSE files.
LIGGGHTS® and CFDEM® are registered trade marks of DCS Computing GmbH,
the producer of the LIGGGHTS® software and the CFDEM®coupling software
See http://www.cfdem.com/terms-trademark-policy for details.
-------------------------------------------------------------------------
Contributing author and copyright for this file:
(if not contributing author is listed, this file has been contributed
by the core developer)
Copyright 2012- DCS Computing GmbH, Linz
Copyright 2009-2012 JKU Linz
Copyright 2016- CFDEMresearch GmbH, Linz
------------------------------------------------------------------------- */
#ifdef PAIR_CLASS
#else
#ifndef LMP_PAIR_GRAN_H
#define LMP_PAIR_GRAN_H
#include "pair.h"
#include "atom.h"
#include "region.h"
#include "compute_pair_gran_local.h"
#include "contact_interface.h"
#include "fix_relax_contacts.h"
#include <vector>
#include <string>
namespace LCM = LIGGGHTS::ContactModels;
namespace LAMMPS_NS {
class PairGran : public Pair, public LIGGGHTS::IContactHistorySetup {
public:
friend class FixWallGran;
friend class FixCheckTimestepGran;
PairGran(class LAMMPS *);
~PairGran();
/* INHERITED FROM Pair */
virtual void compute(int eflag, int vflag);
virtual void compute_pgl(int eflag, int vflag);
virtual void settings(int, char **) = 0;
virtual void coeff(int, char **);
virtual void init_style();
virtual void init_granular() {}
virtual void init_list(int, class NeighList *);
virtual double init_one(int, int);
int pack_comm(int n, int *list,double *buf, int pbc_flag, int *pbc);
void unpack_comm(int n, int first, double *buf);
virtual void write_restart(FILE *);
virtual void read_restart(FILE *);
virtual void write_restart_settings(FILE *){}
virtual void read_restart_settings(FILE *){}
virtual bool contact_match(const std::string mtype, const std::string model) = 0;
virtual void reset_dt();
double memory_usage();
virtual int64_t hashcode() = 0;
int cplenable()
{ return cpl_enable; }
void register_compute_pair_local(class ComputePairGranLocal *,int&);
void unregister_compute_pair_local(class ComputePairGranLocal *ptr);
inline void cpl_add_pair(LCM::SurfacesIntersectData & sidata, LCM::ForceData & i_forces)
{
const double fx = i_forces.delta_F[0];
const double fy = i_forces.delta_F[1];
const double fz = i_forces.delta_F[2];
const double tor1 = i_forces.delta_torque[0];
const double tor2 = i_forces.delta_torque[1];
const double tor3 = i_forces.delta_torque[2];
cpl_->add_pair(sidata.i, sidata.j, fx,fy,fz,tor1,tor2,tor3,sidata.contact_history);
}
inline void cpl_pair_finalize()
{ cpl_->pair_finalize(); }
/* PUBLIC ACCESS FUNCTIONS */
int is_history()
{ return history; }
int dnum_pair()
{ return dnum_pairgran; }
inline int dnum()
{ return dnum_all; }
inline class ComputePairGranLocal * cpl() const
{ return cpl_; }
inline bool storeContactForces() const
{ return store_contact_forces_; }
inline bool storeContactForcesStress()
{ return store_contact_forces_stress_; }
inline bool storeSumDelta()
{ return store_multicontact_data_; }
inline int freeze_group_bit() const
{ return freeze_group_bit_; }
inline int computeflag() const
{ return computeflag_; }
inline int shearupdate() const
{ return shearupdate_; }
class FixContactPropertyAtom * fix_contact_forces() const
{ return fix_contact_forces_; }
class FixContactPropertyAtom * fix_contact_forces_stress()
{ return fix_contact_forces_stress_; }
class FixContactPropertyAtom * fix_store_multicontact_delta()
{ return fix_store_multicontact_data_; }
class FixRigid* fr_pair() const
{ return fix_rigid; }
double * mr_pair() const
{ return mass_rigid; }
double relax(int i)
{ return (fix_relax_ ? fix_relax_->factor_relax(i) : 1.); }
virtual double stressStrainExponent() = 0;
int fix_extra_dnum_index(class Fix *fix);
void *extract(const char *str, int &dim);
int add_history_value(std::string name, std::string newtonflag)
{
int offset = history_arg.size();
history = true;
history_arg.push_back(HistoryArg(name, newtonflag));
dnum_pairgran++;
return offset;
}
void do_store_contact_forces()
{ store_contact_forces_ = true; }
void do_relax_region(FixRelaxContacts *_fr)
{ fix_relax_ = _fr; }
void do_store_contact_forces_stress()
{ store_contact_forces_stress_ = true; }
void do_store_multicontact_data()
{ store_multicontact_data_ = true; }
protected:
struct HistoryArg {
std::string name;
std::string newtonflag;
HistoryArg(std::string name, std::string newtonflag) : name(name), newtonflag(newtonflag) {}
};
std::vector<HistoryArg> history_arg;
void history_args(char ** args) {
for(size_t i = 0; i < history_arg.size(); i++) {
args[2*i] = (char*)history_arg[i].name.c_str();
args[2*i+1] = (char*)history_arg[i].newtonflag.c_str();
}
}
virtual void compute_force(int eflag, int vflag,int addflag) = 0;
virtual bool forceoff();
virtual void updatePtrs();
// for parsing settings() args
int iarg_;
char * suffix;
int neighprev;
// stuff for tracking energy
int energytrack_enable;
class FixPropertyAtom* fppaCPEn; //collision potential energy normal
class FixPropertyAtom* fppaCDEn; //collision dissipation energy normal
class FixPropertyAtom* fppaCPEt; //collision potential energy tang
class FixPropertyAtom* fppaCDEVt; //collision dissipation energy viscous tang
class FixPropertyAtom* fppaCDEFt; //collision dissipation energy friction tang
class FixPropertyAtom* fppaCTFW; //collision tangential force work
class FixPropertyAtom* fppaDEH; //dissipation energy of history term (viscous and friction, accumulated over time)
double *CPEn, *CDEn, *CPEt, *CDEVt, *CDEFt, *CTFW, *DEH;
// stuff for compute pair gran local
int cpl_enable;
class ComputePairGranLocal *cpl_;
// storage for per-contact forces and torque
bool store_contact_forces_;
class FixContactPropertyAtom *fix_contact_forces_;
// storage for per-contact forces and relative position (for goldhirsch stress model)
bool store_contact_forces_stress_;
class FixContactPropertyAtom *fix_contact_forces_stress_;
// storage for per contact delta data (for multicontact models)
bool store_multicontact_data_;
class FixContactPropertyAtom *fix_store_multicontact_data_;
// storage of rigid body masses for use in granular interactions
class FixRigid *fix_rigid; // ptr to rigid body fix, NULL if none
double *mass_rigid; // rigid mass for owned+ghost atoms
int nmax; // allocated size of mass_rigid
double dt;
int freeze_group_bit_;
// contact history
int history;
int dnum_pairgran;
class FixContactHistory *fix_history;
int shearupdate_;
int computeflag_;
double *onerad_dynamic,*onerad_frozen;
double *maxrad_dynamic,*maxrad_frozen;
bool needs_neighlist;
void allocate();
private:
// shear history
int dnum_all;
int nfix;
Fix **fix_dnum;
int *dnum_index;
FixRelaxContacts *fix_relax_;
};
}
#endif
#endif
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