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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:
Arno Mayrhofer (CFDEMresearch GmbH, Linz)
Christoph Kloss (DCS Computing GmbH, Linz)
Copyright 2016- CFDEMresearch GmbH, Linz
Copyright 2014- DCS Computing GmbH, Linz
------------------------------------------------------------------------- */
#include <mpi.h>
#include <string.h>
#include <stdio.h>
#include "fix_contact_property_atom.h"
#include "fix_property_atom.h"
#include "pair_gran.h"
#include "atom.h"
#include "comm.h"
#include "neighbor.h"
#include "neigh_list.h"
#include "force.h"
#include "pair.h"
#include "update.h"
#include "timer.h"
#include "modify.h"
#include "memory.h"
#include "error.h"
using namespace LAMMPS_NS;
using namespace FixConst;
/* ---------------------------------------------------------------------- */
FixContactPropertyAtom::FixContactPropertyAtom(LAMMPS *lmp, int narg, char **arg) :
FixContactHistory(lmp, narg, arg),
fix_nneighs_full_(0),
build_neighlist_(true),
reset_each_ts_(true)
{
bool hasargs = true;
while(iarg_ < narg && hasargs)
{
hasargs = false;
if (strcmp(arg[iarg_],"reset") == 0) {
if (narg < iarg_+2)
error->fix_error(FLERR,this,"not enough arguments for keyword 'reset'");
iarg_++;
if (strcmp(arg[iarg_], "no") == 0)
reset_each_ts_ = false;
else if (strcmp(arg[iarg_], "yes") != 0)
error->fix_error(FLERR,this,"keyword 'reset' requires yes or no as value");
iarg_++;
hasargs = true;
} else if(strcmp(style,"contactproperty/atom") == 0) {
char *errmsg = new char[strlen(arg[iarg_])+50];
sprintf(errmsg,"unknown keyword or wrong keyword order: %s", arg[iarg_]);
error->fix_error(FLERR,this,errmsg);
delete []errmsg;
}
}
// avoid reseting npartners after the initial compute in setup
just_created = false;
// TODO throw error if newton is set
}
/* ---------------------------------------------------------------------- */
FixContactPropertyAtom::~FixContactPropertyAtom()
{
}
/* ---------------------------------------------------------------------- */
void FixContactPropertyAtom::post_create()
{
// do not do this for wall
if(strcmp(style,"contactproperty/atom"))
return;
fix_nneighs_full_ = static_cast<FixPropertyAtom*>(modify->find_fix_id("nneighs_full"));
if (!fix_nneighs_full_)
{
const char **fixarg = new const char*[9];
fixarg[0]="nneighs_full";
fixarg[1]="all";
fixarg[2]="property/atom";
fixarg[3]="nneighs_full";
fixarg[4]="scalar";
fixarg[5]="no"; // restart
fixarg[6]="yes"; // fw comm
fixarg[7]="no"; //rev comm
fixarg[8]="0.0";
modify->add_fix(9,const_cast<char**>(fixarg));
fix_nneighs_full_ = static_cast<FixPropertyAtom*>(modify->find_fix_id("nneighs_full"));
delete []fixarg;
}
}
/* ---------------------------------------------------------------------- */
int FixContactPropertyAtom::setmask()
{
int mask = 0;
mask |= PRE_FORCE;
mask |= MIN_PRE_FORCE;
mask |= PRE_NEIGHBOR;
mask |= PRE_EXCHANGE;
mask |= MIN_PRE_EXCHANGE;
return mask;
}
/* ---------------------------------------------------------------------- */
void FixContactPropertyAtom::init()
{
FixContactHistory::init();
if(!force->pair_match("gran", 0))
error->fix_error(FLERR,this,"Please use a granular pair style for this fix");
pair_gran_ = static_cast<PairGran*>(force->pair_match("gran", 0));
comm_forward = 20*dnum_;
}
/* ---------------------------------------------------------------------- */
void FixContactPropertyAtom::setup_pre_exchange()
{
// in case of run 100, run 100 is executed after first sequence of run 100
//if(0 == neighbor->ago)
// pre_exchange();
}
/* ---------------------------------------------------------------------- */
void FixContactPropertyAtom::min_setup_pre_exchange()
{
if(0 == neighbor->ago)
pre_exchange();
}
/* ---------------------------------------------------------------------- */
void FixContactPropertyAtom::pre_exchange()
{
// set maxtouch = max # of partners of any owned atom
// bump up comm->maxexchange_fix if necessary
int nlocal = atom->nlocal;
maxtouch_ = 0;
for (int i = 0; i < nlocal; i++) maxtouch_ = MAX(maxtouch_,npartner_[i]);
comm->maxexchange_fix = MAX(comm->maxexchange_fix,(dnum_+1)*maxtouch_+1);
}
/* ----------------------------------------------------------------------
for wall:
need to execute here since neighlist is refreshed in setup_pre_force(int foo)
if this is not done, data will get out-of-sync
need not care about overwriting hist values since always have pointer
to most current data
------------------------------------------------------------------------- */
void FixContactPropertyAtom::setup_pre_force(int dummy)
{
pre_neighbor();
pre_force(0);
}
/* ---------------------------------------------------------------------- */
void FixContactPropertyAtom::pre_neighbor()
{
build_neighlist_ = true;
}
/* ----------------------------------------------------------------------
allocate storage
------------------------------------------------------------------------- */
void FixContactPropertyAtom::pre_force(int dummy)
{
if (reset_each_ts_)
clear();
}
/* ---------------------------------------------------------------------- */
void FixContactPropertyAtom::clear()
{
int nall = atom->nlocal+atom->nghost;
//double **x = atom->x;
double *nneighs_full = fix_nneighs_full_->vector_atom;
// reset number of partners every time-step
vectorZeroizeN(npartner_,nall);
// other stuff to do only upon neigh list rebuild
if(!build_neighlist_)
return;
build_neighlist_ = false;
int nneighs_next;
int inum = pair_gran_->list->inum;
int * ilist = pair_gran_->list->ilist;
int * numneigh = pair_gran_->list->numneigh;
int ** firstneigh = pair_gran_->list->firstneigh;
ipage_->reset();
dpage_->reset();
vectorZeroizeN(nneighs_full,nall);
// tally # of neighs to full nneighs
for (int ii = 0; ii < inum; ii++) {
const int i = ilist[ii];
int * const jlist = firstneigh[i];
const int jnum = numneigh[i];
for (int jj = 0; jj < jnum; jj++) {
const int j = jlist[jj] & NEIGHMASK;
nneighs_full[i] += 1.;
nneighs_full[j] += 1.;
}
}
fix_nneighs_full_->do_forward_comm();
// allocate mem for owned and ghost
for (int i = 0; i < nall; i++)
{
nneighs_next = static_cast<int>(nneighs_full[i]);
npartner_[i] = 0;
partner_[i] = ipage_->get(nneighs_next);
contacthistory_[i] = dpage_->get(nneighs_next*dnum_);
if (0 == partner_[i] || 0 == contacthistory_[i])
error->one(FLERR,"Contact history overflow, boost neigh_modify one");
vectorInitializeN(partner_[i],nneighs_next,-1);
vectorZeroizeN(contacthistory_[i],nneighs_next*dnum_);
}
}
/* ---------------------------------------------------------------------- */
void FixContactPropertyAtom::min_setup_pre_force(int dummy)
{
pre_force(0);
}
/* ---------------------------------------------------------------------- */
void FixContactPropertyAtom::min_pre_force(int dummy)
{
pre_force(0);
}
/* ----------------------------------------------------------------------
allocate local atom-based arrays
------------------------------------------------------------------------- */
void FixContactPropertyAtom::grow_arrays(int nmax)
{
FixContactHistory::grow_arrays(nmax);
}
/* ----------------------------------------------------------------------
copy values within local atom-based arrays
------------------------------------------------------------------------- */
void FixContactPropertyAtom::copy_arrays(int i, int j, int delflag)
{
// just copy pointers for partner and shearpartner
// b/c can't overwrite chunk allocation inside ipage,dpage
// incoming atoms in unpack_exchange just grab new chunks
// so are orphaning chunks for migrating atoms
// OK, b/c will reset ipage,dpage on next reneighboring
FixContactHistory::copy_arrays(i,j,delflag);
}
/* ----------------------------------------------------------------------
unpack values in local atom-based arrays from exchange with another proc
------------------------------------------------------------------------- */
int FixContactPropertyAtom::unpack_exchange(int nlocal, double *buf)
{
// allocate new chunks from ipage,dpage for incoming values
int m = 0;
npartner_[nlocal] = ubuf(buf[m++]).i;
maxtouch_ = MAX(maxtouch_,npartner_[nlocal]);
partner_[nlocal] = ipage_->get(npartner_[nlocal]);
contacthistory_[nlocal] = dpage_->get(dnum_*npartner_[nlocal]);
if (partner_[nlocal] == NULL || contacthistory_[nlocal] == NULL)
error->one(FLERR,"Contact history overflow, boost neigh_modify one");
for (int n = 0; n < npartner_[nlocal]; n++) {
partner_[nlocal][n] = ubuf(buf[m++]).i;
for (int d = 0; d < dnum_; d++) {
contacthistory_[nlocal][n*dnum_+d] = buf[m++];
}
}
/*
for (int n = npartner_[nlocal]; n < nneighs; n++) {
partner_[nlocal][n] = -1;
for (int d = 0; d < dnum_; d++) {
contacthistory_[nlocal][n*dnum_+d] = 0.;
}
}
*/
return m;
}
/* ----------------------------------------------------------------------
forward and backward comm to be used by other fixes as needed
------------------------------------------------------------------------- */
void FixContactPropertyAtom::do_forward_comm()
{
timer->stamp();
comm->forward_comm_variable_fix(this);
timer->stamp(TIME_COMM);
}
/* ---------------------------------------------------------------------- */
int FixContactPropertyAtom::pack_comm(int n, int *list, double *buf,
int pbc_flag, int *pbc)
{
int i,j;
//we dont need to account for pbc here
int m = 0;
for (i = 0; i < n; i++) {
j = list[i];
buf[m++] = ubuf(npartner_[j]).d;
for (int np = 0; np < npartner_[j]; np++) {
buf[m++] = ubuf(partner_[j][np]).d;
for (int d = 0; d < dnum_; d++) {
buf[m++] = contacthistory_[j][np*dnum_+d];
}
}
}
return m;
}
/* ---------------------------------------------------------------------- */
void FixContactPropertyAtom::unpack_comm(int n, int first, double *buf)
{
int i,m,last;
m = 0;
last = first + n;
for (i = first; i < last; i++) {
npartner_[i] = ubuf(buf[m++]).i;
for (int np = 0; np < npartner_[i]; np++) {
partner_[i][np] = ubuf(buf[m++]).i;
for (int d = 0; d < dnum_; d++) {
contacthistory_[i][np*dnum_+d] = buf[m++];
}
}
}
}
/* ----------------------------------------------------------------------
unpack values from atom->extra array to restart the fix
------------------------------------------------------------------------- */
void FixContactPropertyAtom::unpack_restart(int nlocal, int nth)
{
// ipage = NULL if being called from granular pair style init()
if (ipage_ == NULL) allocate_pages();
// skip to Nth set of extra values
double **extra = atom->extra;
int m = 0;
for (int i = 0; i < nth; i++) m += static_cast<int> (extra[nlocal][m]);
m++;
// allocate new chunks from ipage,dpage for incoming values
int d;
npartner_[nlocal] = ubuf(extra[nlocal][m++]).i;
maxtouch_ = MAX(maxtouch_,npartner_[nlocal]);
partner_[nlocal] = ipage_->get(npartner_[nlocal]);
contacthistory_[nlocal] = dpage_->get(npartner_[nlocal]*dnum_);
if (partner_[nlocal] == NULL || contacthistory_[nlocal] == NULL)
error->one(FLERR,"Contact history overflow, boost neigh_modify one");
for (int n = 0; n < npartner_[nlocal]; n++) {
partner_[nlocal][n] = ubuf(extra[nlocal][m++]).i;
for (d = 0; d < dnum_; d++) {
contacthistory_[nlocal][n*dnum_+d] = extra[nlocal][m++];
}
}
}
/* ----------------------------------------------------------------------
pack state of Fix into one write
------------------------------------------------------------------------- */
void FixContactPropertyAtom::write_restart(FILE *fp)
{
FixContactHistory::write_restart(fp);
}
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