xref: /dports/science/liggghts/LIGGGHTS-PUBLIC-3.8.0-26-g6e873439/src/fix_insert.cpp

/* ----------------------------------------------------------------------
    This is the

    ██╗     ██╗ ██████╗  ██████╗  ██████╗ ██╗  ██╗████████╗███████╗
    ██║     ██║██╔════╝ ██╔════╝ ██╔════╝ ██║  ██║╚══██╔══╝██╔════╝
    ██║     ██║██║  ███╗██║  ███╗██║  ███╗███████║   ██║   ███████╗
    ██║     ██║██║   ██║██║   ██║██║   ██║██╔══██║   ██║   ╚════██║
    ███████╗██║╚██████╔╝╚██████╔╝╚██████╔╝██║  ██║   ██║   ███████║
    ╚══════╝╚═╝ ╚═════╝  ╚═════╝  ╚═════╝ ╚═╝  ╚═╝   ╚═╝   ╚══════╝®

    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:
    Christoph Kloss (JKU Linz, DCS Computing GmbH, Linz)
    Richard Berger (JKU Linz)

    Copyright 2012-     DCS Computing GmbH, Linz
    Copyright 2009-2015 JKU Linz
------------------------------------------------------------------------- */

#include <cmath>
#include <algorithm>
#include <stdlib.h>
#include <string.h>
#include "atom.h"
#include "atom_vec.h"
#include "force.h"
#include "update.h"
#include "comm.h"
#include "modify.h"
#include "domain.h"
#include "random_park.h"
#include "memory.h"
#include "error.h"
#include "fix_multisphere.h"
#include "fix_particledistribution_discrete.h"
#include "fix_template_sphere.h"
#include "fix_property_atom.h"
#include "irregular.h"
#include "fix_insert.h"
#include "math_extra_liggghts.h"
#include "mpi_liggghts.h"
#include "vector_liggghts.h"

#include "probability_distribution.h"
#include "region_neighbor_list.h"

using namespace LAMMPS_NS;
using namespace FixConst;

#define EPSILON 0.001

#define LMP_DEBUGMODE_FIXINSERT false //(667 == update->ntimestep)//  true
#define LMP_DEBUG_OUT_FIXINSERT screen

/* ---------------------------------------------------------------------- */

FixInsert::FixInsert(LAMMPS *lmp, int narg, char **arg) :
  Fix(lmp, narg, arg),
  neighList(*new RegionNeighborList<interpolate_no>(lmp))
{
  if (narg < 7) error->fix_error(FLERR,this,"not enough arguments");

  restart_global = 1;

  setup_flag = false;

  fix_distribution = NULL;
  fix_multisphere = NULL;
  multisphere = NULL;

  compress_flag = false ;

  // required args
  iarg = 3;

  if(strcmp(arg[iarg++],"seed")) error->fix_error(FLERR,this,"expecting keyword 'seed'");
  // random number generator, seed depends on proc
  random = new RanPark(lmp, arg[iarg++], true);
  seed = random->getSeed();
  if (seed <= 0) error->fix_error(FLERR,this,"illegal seed");

  // set defaults
  init_defaults();

  // parse args

#ifdef SUPERQUADRIC_ACTIVE_FLAG
  check_obb_flag = 1;
#endif

  bool hasargs = true;
  while(iarg < narg && hasargs)
  {
    hasargs = false;

    if(strcmp(arg[iarg],"distributiontemplate") == 0) {
      if (iarg+2 > narg) error->fix_error(FLERR,this,"");
      int ifix = modify->find_fix(arg[iarg+1]);
      if(ifix < 0 || strncmp(modify->fix[ifix]->style,"particledistribution/discrete",29))
        error->fix_error(FLERR,this,"Fix insert requires you to define a valid ID for a fix of type particledistribution/discrete");
      fix_distribution = static_cast<FixParticledistributionDiscrete*>(modify->fix[ifix]);
      iarg += 2;
      hasargs = true;
    } else if (strcmp(arg[iarg],"maxattempt") == 0) {
      if (iarg+2 > narg) error->fix_error(FLERR,this,"");
      maxattempt = atoi(arg[iarg+1]);
      iarg += 2;
      hasargs = true;
    } else if (strcmp(arg[iarg],"nparticles") == 0) {
      if (iarg+2 > narg) error->fix_error(FLERR,this,"");
      if(strcmp(arg[iarg+1],"INF") == 0)
        ninsert_exists = 0;
      else ninsert = atof(arg[iarg+1]);
      iarg += 2;
      hasargs = true;
    } else if (strcmp(arg[iarg],"mass") == 0) {
      if (iarg+2 > narg) error->fix_error(FLERR,this,"");
      if(strcmp(arg[iarg+1],"INF") == 0)
        ninsert_exists = 0;
      else massinsert = atof(arg[iarg+1]);
      iarg += 2;
      hasargs = true;
    } else if (strcmp(arg[iarg],"massrate") == 0) {
      if (iarg+2 > narg) error->fix_error(FLERR,this,"");
      massflowrate = atof(arg[iarg+1]);
      iarg += 2;
      hasargs = true;
    } else if (strcmp(arg[iarg],"particlerate") == 0) {
      if (iarg+2 > narg) error->fix_error(FLERR,this,"");
      nflowrate = atof(arg[iarg+1]);
      iarg += 2;
      hasargs = true;
    } else if (strcmp(arg[iarg],"insert_every_time") == 0 || strcmp(arg[iarg],"insert_every") == 0 || strcmp(arg[iarg],"every") == 0) {
      if (iarg+2 > narg) error->fix_error(FLERR,this,"");
      if(strcmp(arg[iarg+1],"once") == 0) insert_every = 0;
      else if(strcmp(arg[iarg],"insert_every_time") == 0)
      {
          if(!update->timestep_set)
            error->fix_error(FLERR,this,"need so set 'timestep' before");
          insert_every = static_cast<int>(atof(arg[iarg+1])/update->dt);
      }
      else
          insert_every = atoi(arg[iarg+1]);
      if(insert_every < 0) error->fix_error(FLERR,this,"insert_every must be >= 0");
      iarg += 2;
      hasargs = true;
    } else if (strcmp(arg[iarg],"start") == 0) {
      if (iarg+2 > narg) error->fix_error(FLERR,this,"");
      first_ins_step = atoi(arg[iarg+1]);
      if(first_ins_step < update->ntimestep + 1 && !modify->fix_restart_in_progress())
        error->fix_error(FLERR,this,"'start' step can not be before current step");
      iarg += 2;
      hasargs = true;
    } else if (strcmp(arg[iarg],"overlapcheck") == 0) {
      if (iarg+2 > narg) error->fix_error(FLERR,this,"");
      if(strcmp(arg[iarg+1],"yes")==0) check_ol_flag = 1;
      else if(strcmp(arg[iarg+1],"no")==0) check_ol_flag = 0;
      else error->fix_error(FLERR,this,"");
      iarg += 2;
      hasargs = true;
    } else if (strcmp(arg[iarg],"all_in") == 0) {
      if (iarg+2 > narg) error->fix_error(FLERR,this,"");
      if(strcmp(arg[iarg+1],"yes")==0) all_in_flag = 1;
      else if(strcmp(arg[iarg+1],"no")==0) all_in_flag = 0;
      else error->fix_error(FLERR,this,"");
      iarg += 2;
      hasargs = true;
    } else if (strcmp(arg[iarg],"set_property") == 0) {
      if (iarg+3 > narg) error->fix_error(FLERR,this,"");
      int n = strlen(arg[iarg+1]) + 1;
      property_name = new char[n];
      strcpy(property_name,arg[iarg+1]);
      fix_property_value = force->numeric(FLERR,arg[iarg+2]);
      iarg += 3;
      hasargs = true;
    } else if (strcmp(arg[iarg],"random_distribute") == 0) {
      if (iarg+2 > narg) error->fix_error(FLERR,this,"");
      if(strcmp(arg[iarg+1],"uncorrelated")==0) exact_number = 0;
      else if(strcmp(arg[iarg+1],"exact")==0) exact_number = 1;
      else error->fix_error(FLERR,this,"");
      iarg += 2;
      hasargs = true;
    } else if (strcmp(arg[iarg],"verbose") == 0) {
      if (iarg+2 > narg) error->fix_error(FLERR,this,"");
      if(strcmp(arg[iarg+1],"no")==0) print_stats_during_flag = 0;
      else if(strcmp(arg[iarg+1],"yes")==0) print_stats_during_flag = 1;
      else error->fix_error(FLERR,this,"");
      iarg += 2;
      hasargs = true;
    } else if (strcmp(arg[iarg],"compress_tags") == 0) {
      if (iarg+2 > narg) error->fix_error(FLERR,this,"not enough arguments for compress_tags");
      if(0 == strcmp(arg[iarg+1],"yes"))
        compress_flag = true;
      else if(0 == strcmp(arg[iarg+1],"no"))
        compress_flag = false;
      else
        error->fix_error(FLERR,this,"expecting 'yes' or 'no' after 'compress_tags'");
      iarg += 2;
      hasargs = true;
    } else if (strcmp(arg[iarg],"vel") == 0) {
      if (iarg+5 > narg) error->fix_error(FLERR,this,"not enough keyword for 'vel'");
      if (strcmp(arg[iarg+1],"constant") == 0)  {
          v_insert[0] = atof(arg[iarg+2]);
          v_insert[1] = atof(arg[iarg+3]);
          v_insert[2] = atof(arg[iarg+4]);
          iarg += 5;
      } else if (strcmp(arg[iarg+1],"uniform") == 0) {
          if (iarg+8 > narg) error->fix_error(FLERR,this,"not enough keyword for 'uniform'");
          v_randomSetting = RANDOM_UNIFORM;
          v_insert[0] = atof(arg[iarg+2]);
          v_insert[1] = atof(arg[iarg+3]);
          v_insert[2] = atof(arg[iarg+4]);
          v_insertFluct[0] = atof(arg[iarg+5]);
          v_insertFluct[1] = atof(arg[iarg+6]);
          v_insertFluct[2] = atof(arg[iarg+7]);
          iarg += 8;
      } else if (strcmp(arg[iarg+1],"gaussian") == 0) {
          if (iarg+8 > narg) error->fix_error(FLERR,this,"not enough keyword for 'gaussian'");
          v_randomSetting = RANDOM_GAUSSIAN;
          v_insert[0] = atof(arg[iarg+2]);
          v_insert[1] = atof(arg[iarg+3]);
          v_insert[2] = atof(arg[iarg+4]);
          v_insertFluct[0] = atof(arg[iarg+5]);
          v_insertFluct[1] = atof(arg[iarg+6]);
          v_insertFluct[2] = atof(arg[iarg+7]);
          iarg += 8;
      } else
          error->fix_error(FLERR,this,"expecting keyword 'constant' or 'uniform' or 'gaussian' after keyword 'vel'");
      hasargs = true;
    } else if (strcmp(arg[iarg],"omega") == 0) {
      if (iarg+5 > narg) error->fix_error(FLERR,this,"");
      if (strcmp(arg[iarg+1],"constant") == 0)
      {
          omega_insert[0] = atof(arg[iarg+2]);
          omega_insert[1] = atof(arg[iarg+3]);
          omega_insert[2] = atof(arg[iarg+4]);
      } else error->fix_error(FLERR,this,"expecting keyword 'constant' after keyword 'omega'");
      iarg += 5;
      hasargs = true;
    } else if (strcmp(arg[iarg],"orientation") == 0) {
      if (iarg+2 > narg)
        error->fix_error(FLERR,this,"not enough arguments for 'orientation'");
      iarg++;
      if(strcmp(arg[iarg],"random") == 0)
      {
          quat_random_ = true;
          iarg++;
      }
      else if(strcmp(arg[iarg],"template") == 0)
      {
          quat_random_ = false;
          iarg++;
      }
      else if (strcmp(arg[iarg],"constant") == 0)
      {
          iarg++;
          if (iarg+4 > narg) error->fix_error(FLERR,this,"");
          quat_insert[0] = atof(arg[iarg++]);
          quat_insert[1] = atof(arg[iarg++]);
          quat_insert[2] = atof(arg[iarg++]);
          quat_insert[3] = atof(arg[iarg++]);
      } else error->fix_error(FLERR,this,"expecting 'random', template' or 'constant' after keyword 'quat'");
      hasargs = true;
    }

#ifdef SUPERQUADRIC_ACTIVE_FLAG
    else if (strcmp(arg[iarg],"check_obb") == 0) {
      if (iarg+2 > narg) error->fix_error(FLERR,this,"");
      if(strcmp(arg[iarg+1],"yes")==0) check_obb_flag = 1;
      else if(strcmp(arg[iarg+1],"no")==0) check_obb_flag = 0;
      else error->fix_error(FLERR,this,"");
      if(check_ol_flag==0) check_obb_flag = 0;
      iarg += 2;
      hasargs = true;
    }
#endif
    else if(strcmp(style,"insert") == 0) error->fix_error(FLERR,this,"unknown keyword");
  }

  // memory not allocated initially
  ninsert_this_max_local = 0;

  // check for missing or contradictory settings
  sanity_check();

  //min/max type to be inserted, need that to check if material properties defined for all materials
  type_max = fix_distribution->max_type();
  type_min = fix_distribution->min_type();

  // allgather arrays
  MPI_Comm_rank(world,&me);
  MPI_Comm_size(world,&nprocs);
  recvcounts = new int[nprocs];
  displs = new int[nprocs];

  // set next reneighbor
  force_reneighbor = 1;
  next_reneighbor = first_ins_step;
  most_recent_ins_step = -1;

  vector_flag = 1;
  size_vector = 2;
  global_freq = 1;

  print_stats_start_flag = 1;

  irregular = new Irregular(lmp);

  // calc max insertion radius
  int ntypes = atom->ntypes;
  maxrad = 0.;
  minrad = 1000.;
  for(int i = 1; i <= ntypes; i++)
  {
     maxrad = std::max(maxrad,max_rad(i));
     minrad = std::min(minrad,min_rad(i));
  }
}

/* ---------------------------------------------------------------------- */

FixInsert::~FixInsert()
{
  delete random;
  delete [] recvcounts;
  delete [] displs;
  delete &neighList;
  if(property_name) delete []property_name;

  if(irregular) delete irregular;
  irregular = 0;
}

/* ---------------------------------------------------------------------- */

void FixInsert::setup(int vflag)
{

  // do this only once
  if(setup_flag) return;
  else setup_flag = true;

  // calculate ninsert, insert_every, ninsert_per
  calc_insertion_properties();

  // calc last step of insertion
  if(ninsert_exists)
  {
      if(ninsert <= ninsert_per)
        final_ins_step = first_ins_step;
      else
        final_ins_step = first_ins_step +
                static_cast<int>(static_cast<double>(ninsert)/ninsert_per) *  static_cast<double>(insert_every);

      if(final_ins_step < 0)
        error->fix_error(FLERR,this,"Particle insertion: Overflow - need too long for particle insertion. "
                                    "Please decrease # particles to insert or increase insertion rate");
      if(ninsert < 0)
        error->fix_error(FLERR,this,"Particle insertion: Overflow - too many particles for particle insertion. "
                                    "Please decrease # particles to insert.");
  }
  else
    final_ins_step = -1;

  // print statistics
  print_stats_start();

}

/* ---------------------------------------------------------------------- */

void FixInsert::init_defaults()
{
  // default is that total # of particles to insert by this command is known
  ninsert_exists = 1;

  ninsert = ninserted = 0;
  massinsert = massinserted = 0.;
  nflowrate = massflowrate = 0.;

  insert_every = -1;
  ninsert_per = 0.;

  // 1st insertion on next timestep is default
  first_ins_step = update->ntimestep + 1;

  maxattempt = 50;

  check_ol_flag = 1;
  all_in_flag = 0;

  exact_number = 1;

  v_randomSetting = RANDOM_CONSTANT;
  vectorZeroize3D(v_insert);
  vectorZeroize3D(v_insertFluct);
  vectorZeroize3D(omega_insert);

  quatIdentity4D(quat_insert);
  quat_random_ = false;

  print_stats_during_flag = 1;
  warn_boxentent = true;

  property_name = 0;
  fix_property = 0;
  fix_property_value = 0.;
}

/* ---------------------------------------------------------------------- */

void FixInsert::sanity_check()
{
    if(fix_distribution == NULL)
        error->fix_error(FLERR,this,"have to define a 'distributiontemplate'");

    if(MathExtraLiggghts::abs(vectorMag4DSquared(quat_insert)-1.) > 1e-10)
        error->fix_error(FLERR,this,"quaternion not valid");

    if(ninsert > 0 && massinsert > 0.)
        error->fix_error(FLERR,this,"must not define both 'nparticles' and 'mass'");
    if(nflowrate > 0. && massflowrate > 0.)
        error->fix_error(FLERR,this,"must not define both 'particlerate' and 'massrate'");

    if(insert_every == 0 && (massflowrate > 0. || nflowrate > 0.))
        error->fix_error(FLERR,this,"must not define 'particlerate' or 'massrate' for 'insert_every' = 0");

    if(0 == comm->me)
    {

        std::vector<int> seeds;
        seeds.push_back(random->state());
        seeds.push_back(fix_distribution->random_state());
        for(int itemplate = 0; itemplate < fix_distribution->n_particletemplates(); itemplate++)
        {

            seeds.push_back(fix_distribution->particletemplates()[itemplate]->random_insertion_state());
        }

        std::sort(seeds.begin(),seeds.end());

        if(std::unique(seeds.begin(),seeds.end()) !=seeds.end() )
        {
            char errstr[1024];
            sprintf(errstr,"Fix %s, ID %s: Random number generation: It is required that all the random seeds of this fix insert/*, \n"
                           "  the random seed of particle distribution fix (id %s) template and all random seeds of the \n"
                           "  fix particletemplate/* commands used by particle distribution fix (id %s) are different\n"
                           "  Hint: possible valid (different) seeds would be the following numbers:\n"
                           "        15485863, 15485867, 32452843, 32452867, 49979687, 49979693, 67867967, 67867979, 86028121, 86028157",
                           style,id,fix_distribution->id,fix_distribution->id);

            if(input->seed_check_throw_error())
                error->one(FLERR,errstr);
            else
                error->warning(FLERR,errstr);
        }
    }
}

/* ---------------------------------------------------------------------- */

void FixInsert::print_stats_start()
{
  if (me == 0 && print_stats_start_flag) {

    if(ninsert_exists)
    {
        if (screen)
            fprintf(screen ,"INFO: Particle insertion %s: %f particles every %d steps - particle rate %f  (mass rate %e)\n"
                            "      %d particles (mass %e) within %d steps\n",
                id,ninsert_per,insert_every,nflowrate,massflowrate,ninsert,massinsert,final_ins_step-first_ins_step);

        if (logfile)
            fprintf(logfile,"INFO: Particle insertion %s: %f particles every %d steps - particle rate %f, (mass rate %e)\n"
                            "      %d particles (mass %e) within %d steps\n",
                id,ninsert_per,insert_every,nflowrate,massflowrate,ninsert,massinsert,final_ins_step-first_ins_step);
    }
    else if(massflowrate > 0.)
    {
        if (screen)
            fprintf(screen ,"INFO: Particle insertion %s: %f particles every %d steps - particle rate %f  (mass rate %e)\n",
                id,ninsert_per,insert_every,nflowrate,massflowrate);

        if (logfile)
            fprintf(logfile,"INFO: Particle insertion %s: %f particles every %d steps - particle rate %f, (mass rate %e)\n",
                id,ninsert_per,insert_every,nflowrate,massflowrate);
    }
    else
    {
        if (screen)
            fprintf(screen ,"INFO: Particle insertion %s: inserting every %d steps\n",id,insert_every);

        if (logfile)
            fprintf(logfile ,"INFO: Particle insertion %s: inserting every %d steps\n",id,insert_every);
    }
  }
}

/* ---------------------------------------------------------------------- */

void FixInsert::print_stats_during(int ninsert_this, double mass_inserted_this)
{
  bigint step = update->ntimestep;

  if (me == 0 && print_stats_during_flag)
  {
    if (screen)
      fprintf(screen ,"INFO: Particle insertion %s: inserted %d particle templates (mass %e) at step " BIGINT_FORMAT "\n"
                      " - a total of %d particle templates (mass %e) inserted so far.\n",
              id,ninsert_this,mass_inserted_this,step,ninserted,massinserted);

    if (logfile)
      fprintf(logfile,"INFO: Particle insertion %s: inserted %d particle templates (mass %e) at step " BIGINT_FORMAT "\n"
                      " - a total of %d particle templates (mass %e) inserted so far.\n",
              id,ninsert_this,mass_inserted_this,step,ninserted,massinserted);
  }
}

/* ---------------------------------------------------------------------- */

int FixInsert::setmask()
{
  int mask = 0;
  mask |= PRE_EXCHANGE;
  return mask;
}

/* ---------------------------------------------------------------------- */

void FixInsert::init()
{
    int ntimestep = update->ntimestep;

    if (!atom->radius_flag || !atom->rmass_flag)
        error->fix_error(FLERR,this,"Fix insert requires atom attributes radius, rmass");
    if (domain->triclinic)
        error->fix_error(FLERR,this,"Cannot use with triclinic box");
    if (domain->dimension != 3)
        error->fix_error(FLERR,this,"Can use fix insert for 3d simulations only");

    fix_multisphere = static_cast<FixMultisphere*>(modify->find_fix_style("multisphere", 0));
    if(!fix_multisphere) multisphere = NULL;
    else multisphere = &fix_multisphere->data();

    // in case of new fix insert in a restarted simulation, have to add current time-step
    if(next_reneighbor > 0 && next_reneighbor < ntimestep)
    {

        error->fix_error(FLERR,this,"'start' step can not be before current step");
    }

    if(property_name)
    {
         fix_property = static_cast<FixPropertyAtom*>(modify->find_fix_property(property_name,"property/atom","scalar",1,1,this->style,true));
    }
}

/* ---------------------------------------------------------------------- */

void FixInsert::reset_timestep(bigint newstep,bigint oldstep)
{

    next_reneighbor += (newstep-oldstep);

}

/* ---------------------------------------------------------------------- */

int FixInsert::min_type()
{
    return type_min;
}

/* ---------------------------------------------------------------------- */

int FixInsert::max_type()
{
    return type_max;
}

/* ---------------------------------------------------------------------- */

double FixInsert::max_rad(int type)
{
    return fix_distribution->max_rad(type);
}

/* ---------------------------------------------------------------------- */

double FixInsert::min_rad(int type)
{
    return fix_distribution->min_rad(type);
}

/* ---------------------------------------------------------------------- */

double FixInsert::max_r_bound()
{
    return fix_distribution->max_r_bound();
}

/* ---------------------------------------------------------------------- */

double FixInsert::extend_cut_ghost()
{

    if(!fix_multisphere)
        return 0.;

    return 2.*fix_distribution->max_r_bound();
}

/* ---------------------------------------------------------------------- */

int FixInsert::calc_ninsert_this()
{
  if(ninsert_per == 0.) error->fix_error(FLERR,this,"ninsert_per == 0.");

  // number of bodies to insert this timestep
  int ninsert_this = static_cast<int>(ninsert_per + random->uniform());
  if (ninsert_exists && ninserted + ninsert_this > ninsert) ninsert_this = ninsert - ninserted;

  return ninsert_this;
}

/* ----------------------------------------------------------------------
   perform particle insertion
------------------------------------------------------------------------- */

void FixInsert::pre_exchange()
{

  int ninsert_this, ninsert_this_local; // global and local # bodies to insert this time-step

  // just return if should not be called on this timestep

  if (next_reneighbor != update->ntimestep || most_recent_ins_step == update->ntimestep) return;
  most_recent_ins_step = update->ntimestep;

  // things to be done before inserting new particles

  if(!pre_insert())
    return;

  // number of particles to insert this timestep
  ninsert_this = calc_ninsert_this();

  // limit to max number of particles that shall be inserted
  // to avoid that max # may be slightly exceeded by random processes
  // in fix_distribution->randomize_list, set exact_number to 1
  if (ninsert_exists && ninserted + ninsert_this >= ninsert)
  {
      ninsert_this = ninsert - ninserted;
      if(ninsert_this < 0)
        ninsert_this = 0;
      exact_number = 1;
  }

  // distribute ninsert_this across processors
  ninsert_this_local = distribute_ninsert_this(ninsert_this);

  // re-allocate list if necessary

  if(ninsert_this_local > ninsert_this_max_local)
  {
      init_list(ninsert_this_local);
      ninsert_this_max_local = ninsert_this_local;
  }

  // generate list of insertions
  // number of inserted particles can change if exact_number = 0

  ninsert_this_local = generate_list(ninsert_this_local,groupbit,exact_number);

  MPI_Sum_Scalar(ninsert_this_local,ninsert_this,world);

  if(ninsert_this == 0)
  {
      // warn if flowrate should be fulfilled
      if((nflowrate > 0. || massflowrate > 0.) && comm->me == 0)
        error->warning(FLERR,"Particle insertion: Inserting no particle - check particle insertion settings");

      // schedule next insertion
      if (insert_every && (!ninsert_exists || ninserted < ninsert))
        next_reneighbor += insert_every;

      else if(0 == insert_every)
        next_reneighbor = -1;

      return;
  }
  else if(ninsert_this < 0)
  {

      error->fix_error(FLERR,this,"Particle insertion: Internal error");
  }

  double min_subbox_extent;
  int min_dim;
  domain->min_subbox_extent(min_subbox_extent,min_dim);

  if(warn_boxentent && min_subbox_extent < 2.2 *max_r_bound())
  {
      char msg[256];
      sprintf(msg,"Particle insertion on proc %d: sub-domain is smaller than the bounding radius of insert particles to insert: \nMax. bounding "
                  "sphere diameter is %f, sub-domain extent in %s direction is only %f ",
                  comm->me,2.*max_r_bound(),0==min_dim?"x":(1==min_dim?"y":"z"),min_subbox_extent);
      error->warning(FLERR,msg);
  }

  // warn if max # insertions exceeded by random processes
  if (ninsert_exists && ninserted + ninsert_this > ninsert)
  {
      error->warning(FLERR,"INFO: Particle insertion: Number of particles to insert was slightly exceeded by random process");
  }

  // fill xnear array with particles to check overlap against

  // add particles in insertion volume to xnear list
  neighList.reset();

  if(check_ol_flag)
    load_xnear(ninsert_this_local);

  // insertion counters in this step
  int ninserted_this = 0, ninserted_spheres_this = 0;
  int ninserted_this_local = 0, ninserted_spheres_this_local = 0;
  double mass_inserted_this = 0.;
  double mass_inserted_this_local = 0.;

  // randomize insertion positions and set v, omega
  // also performs overlap check via xnear if requested
  // returns # bodies and # spheres that could actually be inserted
  x_v_omega(ninsert_this_local,ninserted_this_local,ninserted_spheres_this_local,mass_inserted_this_local);

  // actual particle insertion

  fix_distribution->pre_insert(ninserted_this_local,fix_property,fix_property_value);

  ninserted_spheres_this_local = fix_distribution->insert(ninserted_this_local);

  // warn if max # insertions exceeded by random processes
  if (ninsert_exists && ninserted + ninsert_this > ninsert)
  {
      error->warning(FLERR,"INFO: Particle insertion: Number of particles to insert was slightly exceeded by random process");
  }

  // set tag # of new particles beyond all previous atoms, reset global natoms
  // if global map exists, reset it now instead of waiting for comm
  // since deleting atoms messes up ghosts
  int step = update->ntimestep;

  if (atom->tag_enable)
  {

    //force all tags to be reset by setting them to zero
    if(compress_flag)
    {
        if(comm->me == 0)
            printf("FixInsertStream: resetting tags @ step %d. \n", step);
        int *tag = atom->tag;
        for (int i = 0; i < atom->nlocal; i++)
            tag[i] = 0;
    }

    atom->tag_extend();
    atom->natoms += static_cast<double>(ninserted_spheres_this);
    if (atom->map_style)
    {
      atom->nghost = 0;
      atom->map_init();
      atom->map_set();
    }
  }

  // give particle distributions the chance to do some wrap-up

  fix_distribution->finalize_insertion();

  // give derived classes the chance to do some wrap-up

  finalize_insertion(ninserted_spheres_this_local);

  // tally stats
  MPI_Sum_Scalar(ninserted_this_local,ninserted_this,world);
  ninserted += ninserted_this;
  MPI_Sum_Scalar(mass_inserted_this_local,mass_inserted_this,world);
  massinserted += mass_inserted_this;
  print_stats_during(ninserted_this,mass_inserted_this);

  if(ninserted_this < ninsert_this && comm->me == 0)
      error->warning(FLERR,"Particle insertion: Less insertions than requested");

  if (irregular->migrate_check())
      irregular->migrate_atoms();

  // next timestep to insert
  if (insert_every && (!ninsert_exists || ninserted < ninsert)) next_reneighbor += insert_every;
  else next_reneighbor = 0;

}

/* ----------------------------------------------------------------------
   distribute insertions across processors
------------------------------------------------------------------------- */

int FixInsert::distribute_ninsert_this(int ninsert_this)
{
    int me, nprocs, ngap, ninsert_this_local, *ninsert_this_local_all;
    double fraction_local, fraction_local_all_sum, *fraction_local_all, *remainder, r, rsum;

    me = comm->me;
    nprocs = comm->nprocs;

    fraction_local = insertion_fraction();

    if(!exact_number)
        return static_cast<int>(fraction_local*static_cast<double>(ninsert_this) + random->uniform());

    // for exact_number==1, have to allgather to exactly match ninsert_this

    fraction_local_all = new double[nprocs];
    remainder = new double[nprocs];
    ninsert_this_local_all = new int[nprocs];

    // allgather local fractions
    MPI_Allgather(&fraction_local,1,MPI_DOUBLE,fraction_local_all,1,MPI_DOUBLE,world);

    // proc0 calculates ninsert_this_local for all processes

    if(me == 0)
    {
        // remove fractions < 2% / nprocs
        // have to normalize so not all portions get cancelled away for higher proc counts
        // normalize fraction_local_all so sum across processors is 1

        double lower_thresh = 0.02 / static_cast<double>(nprocs);

        fraction_local_all_sum = 0.;
        for(int iproc = 0; iproc < nprocs; iproc++)
        {
            if(fraction_local_all[iproc] < lower_thresh)
                fraction_local_all[iproc] = 0.;
            fraction_local_all_sum += fraction_local_all[iproc];
        }

        if(fraction_local_all_sum == 0.)
            error->one(FLERR,"Internal error distributing particles to processes");

        for(int iproc = 0; iproc < nprocs; iproc++)
            fraction_local_all[iproc] /= fraction_local_all_sum;

        rsum = 0.;
        for(int iproc = 0; iproc < nprocs; iproc++)
        {
            ninsert_this_local_all[iproc] = static_cast<int>(fraction_local_all[iproc]*static_cast<double>(ninsert_this));
            remainder[iproc] = fraction_local_all[iproc]*static_cast<double>(ninsert_this) - ninsert_this_local_all[iproc];
            rsum += remainder[iproc];

        }

        ngap = round(rsum);

        for(int i = 0; i < ngap; i++)
        {
            r = random->uniform() * static_cast<double>(ngap);
            int iproc = 0;
            rsum = remainder[iproc];

            while(iproc < (nprocs-1) && rsum < r)
            {
                iproc++;
                rsum += remainder[iproc];
            }
            ninsert_this_local_all[iproc]++;
        }
    }

    // Bcast the result
    MPI_Bcast(ninsert_this_local_all,nprocs, MPI_INT,0,world);
    ninsert_this_local = ninsert_this_local_all[me];

    delete []fraction_local_all;
    delete []remainder;
    delete []ninsert_this_local_all;

    return ninsert_this_local;
}

/* ----------------------------------------------------------------------
   fill neighbor list with nearby particles
------------------------------------------------------------------------- */

int FixInsert::load_xnear(int ninsert_this_local)
{
  // load up neighbor list with local and ghosts

  double **x = atom->x;
  double *radius = atom->radius;
  const int nall = atom->nlocal + atom->nghost;

  BoundingBox bb = getBoundingBox();
  neighList.reset();
#ifdef SUPERQUADRIC_ACTIVE_FLAG
  neighList.set_obb_flag(check_obb_flag);
#endif

  if(neighList.setBoundingBox(bb, maxrad,true,true))
  {
    for (int i = 0; i < nall; ++i)
    {

      if (is_nearby(i) && neighList.isInBoundingBox(x[i]) )
      {
#ifdef SUPERQUADRIC_ACTIVE_FLAG
        if(atom->superquadric_flag and check_obb_flag)
          neighList.insert_superquadric(x[i], radius[i], atom->quaternion[i], atom->shape[i], atom->blockiness[i]);
        else
          neighList.insert(x[i], radius[i]);
#else
        neighList.insert(x[i], radius[i]);
#endif
      }
    }
  }

  return neighList.count();
}

/* ----------------------------------------------------------------------
   generate random velocity based on random setting
------------------------------------------------------------------------- */

void FixInsert::generate_random_velocity(double * velocity) {
  switch(v_randomSetting) {
    case RANDOM_UNIFORM:
      velocity[0] = v_insert[0] + v_insertFluct[0] * 2.0 * (random->uniform()-0.50);
      velocity[1] = v_insert[1] + v_insertFluct[1] * 2.0 * (random->uniform()-0.50);
      velocity[2] = v_insert[2] + v_insertFluct[2] * 2.0 * (random->uniform()-0.50);
      break;

    case RANDOM_GAUSSIAN:
      velocity[0] = v_insert[0] + v_insertFluct[0] * random->gaussian();
      velocity[1] = v_insert[1] + v_insertFluct[1] * random->gaussian();
      velocity[2] = v_insert[2] + v_insertFluct[2] * random->gaussian();
  }
}

/* ----------------------------------------------------------------------
   pack entire state of Fix into one write
------------------------------------------------------------------------- */

void FixInsert::write_restart(FILE *fp)
{
  int n = 0;
  double list[5];
  list[n++] = static_cast<double>(random->state());
  list[n++] = static_cast<double>(ninserted);
  list[n++] = static_cast<double>(first_ins_step);
  list[n++] = static_cast<double>(next_reneighbor);
  list[n++] = massinserted;

  if (comm->me == 0) {
    int size = n * sizeof(double);
    fwrite(&size,sizeof(int),1,fp);
    fwrite(list,sizeof(double),n,fp);
  }
}

/* ----------------------------------------------------------------------
   use state info from restart file to restart the Fix
------------------------------------------------------------------------- */

void FixInsert::restart(char *buf)
{
  int n = 0;
  double *list = (double *) buf;
  bigint next_reneighbor_re;

  seed = static_cast<int> (list[n++]) + comm->me;
  ninserted = static_cast<int> (list[n++]);
  first_ins_step = static_cast<int> (list[n++]);
  next_reneighbor_re = static_cast<bigint> (list[n++]);
  massinserted = list[n++];

  random->reset(seed);

  // in order to be able to continue pouring with increased number of particles
  // if insert was already finished in run to be restarted
  if(next_reneighbor_re != 0) next_reneighbor = next_reneighbor_re;

}

/* ----------------------------------------------------------------------
   output
------------------------------------------------------------------------- */

double FixInsert::compute_vector(int index)
{
    if(index == 0) return static_cast<double>(ninserted);
    if(index == 1) return massinserted;
    return 0.0;
}