/* ----------------------------------------------------------------------
    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:
    This file is from LAMMPS
    LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
    http://lammps.sandia.gov, Sandia National Laboratories
    Steve Plimpton, sjplimp@sandia.gov

    Copyright (2003) Sandia Corporation.  Under the terms of Contract
    DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
    certain rights in this software.  This software is distributed under
    the GNU General Public License.
------------------------------------------------------------------------- */

#include <string.h>
#include "compute_property_local.h"
#include "atom.h"
#include "atom_vec.h"
#include "update.h"
#include "force.h"
#include "pair.h"
#include "neighbor.h"
#include "neigh_request.h"
#include "neigh_list.h"
#include "memory.h"
#include "error.h"

using namespace LAMMPS_NS;

enum{NONE,NEIGH,PAIR,BOND,ANGLE,DIHEDRAL,IMPROPER};

#define DELTA 10000

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

ComputePropertyLocal::ComputePropertyLocal(LAMMPS *lmp, int &iarg, int narg, char **arg) :
  Compute(lmp, iarg, narg, arg)
{
  if (narg < iarg+1) error->all(FLERR,"Illegal compute property/local command");

  local_flag = 1;
  nvalues = narg - iarg;
  if (nvalues == 1) size_local_cols = 0;
  else size_local_cols = nvalues;

  pack_choice = new FnPtrPack[nvalues];

  kindflag = NONE;

  int i;
  const int arg_offset = iarg;
  for (; iarg < narg; iarg++) {
    i = iarg-arg_offset;

    if (strcmp(arg[iarg],"natom1") == 0) {
      pack_choice[i] = &ComputePropertyLocal::pack_patom1;
      if (kindflag != NONE && kindflag != NEIGH)
        error->all(FLERR,
                   "Compute property/local cannot use these inputs together");
      kindflag = NEIGH;
    } else if (strcmp(arg[iarg],"natom2") == 0) {
      pack_choice[i] = &ComputePropertyLocal::pack_patom2;
      if (kindflag != NONE && kindflag != NEIGH)
        error->all(FLERR,
                   "Compute property/local cannot use these inputs together");
      kindflag = NEIGH;
    } else if (strcmp(arg[iarg],"ntype1") == 0) {
      pack_choice[i] = &ComputePropertyLocal::pack_ptype1;
      if (kindflag != NONE && kindflag != NEIGH)
        error->all(FLERR,
                   "Compute property/local cannot use these inputs together");
      kindflag = NEIGH;
    } else if (strcmp(arg[iarg],"ntype2") == 0) {
      pack_choice[i] = &ComputePropertyLocal::pack_ptype2;
      if (kindflag != NONE && kindflag != NEIGH)
        error->all(FLERR,
                   "Compute property/local cannot use these inputs together");
      kindflag = NEIGH;

    } else if (strcmp(arg[iarg],"patom1") == 0) {
      pack_choice[i] = &ComputePropertyLocal::pack_patom1;
      if (kindflag != NONE && kindflag != PAIR)
        error->all(FLERR,
                   "Compute property/local cannot use these inputs together");
      kindflag = PAIR;
    } else if (strcmp(arg[iarg],"patom2") == 0) {
      pack_choice[i] = &ComputePropertyLocal::pack_patom2;
      if (kindflag != NONE && kindflag != PAIR)
        error->all(FLERR,
                   "Compute property/local cannot use these inputs together");
      kindflag = PAIR;
    } else if (strcmp(arg[iarg],"ptype1") == 0) {
      pack_choice[i] = &ComputePropertyLocal::pack_ptype1;
      if (kindflag != NONE && kindflag != PAIR)
        error->all(FLERR,
                   "Compute property/local cannot use these inputs together");
      kindflag = PAIR;
    } else if (strcmp(arg[iarg],"ptype2") == 0) {
      pack_choice[i] = &ComputePropertyLocal::pack_ptype2;
      if (kindflag != NONE && kindflag != PAIR)
        error->all(FLERR,
                   "Compute property/local cannot use these inputs together");
      kindflag = PAIR;

    } else if (strcmp(arg[iarg],"batom1") == 0) {
      pack_choice[i] = &ComputePropertyLocal::pack_batom1;
      if (kindflag != NONE && kindflag != BOND)
        error->all(FLERR,
                   "Compute property/local cannot use these inputs together");
      kindflag = BOND;
    } else if (strcmp(arg[iarg],"batom2") == 0) {
      pack_choice[i] = &ComputePropertyLocal::pack_batom2;
      if (kindflag != NONE && kindflag != BOND)
        error->all(FLERR,
                   "Compute property/local cannot use these inputs together");
      kindflag = BOND;
    } else if (strcmp(arg[iarg],"btype") == 0) {
      pack_choice[i] = &ComputePropertyLocal::pack_btype;
      if (kindflag != NONE && kindflag != BOND)
        error->all(FLERR,
                   "Compute property/local cannot use these inputs together");
      kindflag = BOND;

    } else if (strcmp(arg[iarg],"aatom1") == 0) {
      pack_choice[i] = &ComputePropertyLocal::pack_aatom1;
      if (kindflag != NONE && kindflag != ANGLE)
        error->all(FLERR,
                   "Compute property/local cannot use these inputs together");
      kindflag = ANGLE;
    } else if (strcmp(arg[iarg],"aatom2") == 0) {
      pack_choice[i] = &ComputePropertyLocal::pack_aatom2;
      if (kindflag != NONE && kindflag != ANGLE)
        error->all(FLERR,
                   "Compute property/local cannot use these inputs together");
      kindflag = ANGLE;
    } else if (strcmp(arg[iarg],"aatom3") == 0) {
      pack_choice[i] = &ComputePropertyLocal::pack_aatom3;
      if (kindflag != NONE && kindflag != ANGLE)
        error->all(FLERR,
                   "Compute property/local cannot use these inputs together");
      kindflag = ANGLE;
    } else if (strcmp(arg[iarg],"atype") == 0) {
      pack_choice[i] = &ComputePropertyLocal::pack_atype;
      if (kindflag != NONE && kindflag != ANGLE)
        error->all(FLERR,
                   "Compute property/local cannot use these inputs together");
      kindflag = ANGLE;

    } else if (strcmp(arg[iarg],"datom1") == 0) {
      pack_choice[i] = &ComputePropertyLocal::pack_datom1;
      if (kindflag != NONE && kindflag != DIHEDRAL)
        error->all(FLERR,
                   "Compute property/local cannot use these inputs together");
      kindflag = DIHEDRAL;
    } else if (strcmp(arg[iarg],"datom2") == 0) {
      pack_choice[i] = &ComputePropertyLocal::pack_datom2;
      if (kindflag != NONE && kindflag != DIHEDRAL)
        error->all(FLERR,
                   "Compute property/local cannot use these inputs together");
      kindflag = DIHEDRAL;
    } else if (strcmp(arg[iarg],"datom3") == 0) {
      pack_choice[i] = &ComputePropertyLocal::pack_datom3;
      if (kindflag != NONE && kindflag != DIHEDRAL)
        error->all(FLERR,
                   "Compute property/local cannot use these inputs together");
      kindflag = DIHEDRAL;
    } else if (strcmp(arg[iarg],"datom4") == 0) {
      pack_choice[i] = &ComputePropertyLocal::pack_datom4;
      if (kindflag != NONE && kindflag != DIHEDRAL)
        error->all(FLERR,
                   "Compute property/local cannot use these inputs together");
      kindflag = DIHEDRAL;
    } else if (strcmp(arg[iarg],"dtype") == 0) {
      pack_choice[i] = &ComputePropertyLocal::pack_dtype;
      if (kindflag != NONE && kindflag != DIHEDRAL)
        error->all(FLERR,
                   "Compute property/local cannot use these inputs together");
      kindflag = DIHEDRAL;

    } else if (strcmp(arg[iarg],"iatom1") == 0) {
      pack_choice[i] = &ComputePropertyLocal::pack_iatom1;
      if (kindflag != NONE && kindflag != IMPROPER)
        error->all(FLERR,
                   "Compute property/local cannot use these inputs together");
      kindflag = IMPROPER;
    } else if (strcmp(arg[iarg],"iatom2") == 0) {
      pack_choice[i] = &ComputePropertyLocal::pack_iatom2;
      if (kindflag != NONE && kindflag != IMPROPER)
        error->all(FLERR,
                   "Compute property/local cannot use these inputs together");
      kindflag = IMPROPER;
    } else if (strcmp(arg[iarg],"iatom3") == 0) {
      pack_choice[i] = &ComputePropertyLocal::pack_iatom3;
      if (kindflag != NONE && kindflag != IMPROPER)
        error->all(FLERR,
                   "Compute property/local cannot use these inputs together");
      kindflag = IMPROPER;
    } else if (strcmp(arg[iarg],"iatom4") == 0) {
      pack_choice[i] = &ComputePropertyLocal::pack_iatom4;
      if (kindflag != NONE && kindflag != IMPROPER)
        error->all(FLERR,
                   "Compute property/local cannot use these inputs together");
      kindflag = IMPROPER;
    } else if (strcmp(arg[iarg],"itype") == 0) {
      pack_choice[i] = &ComputePropertyLocal::pack_itype;
      if (kindflag != NONE && kindflag != IMPROPER)
        error->all(FLERR,
                   "Compute property/local cannot use these inputs together");
      kindflag = IMPROPER;

    } else error->all(FLERR,
                      "Invalid keyword in compute property/local command");
  }

  // error check

  if (kindflag == BOND && atom->avec->bonds_allow == 0)
    error->all(FLERR,
               "Compute property/local for property that isn't allocated");
  if (kindflag == ANGLE && atom->avec->angles_allow == 0)
    error->all(FLERR,
               "Compute property/local for property that isn't allocated");
  if (kindflag == DIHEDRAL && atom->avec->dihedrals_allow == 0)
    error->all(FLERR,
               "Compute property/local for property that isn't allocated");
  if (kindflag == IMPROPER && atom->avec->impropers_allow == 0)
    error->all(FLERR,
               "Compute property/local for property that isn't allocated");

  nmax = 0;
  vector = NULL;
  array = NULL;
  indices = NULL;
}

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

ComputePropertyLocal::~ComputePropertyLocal()
{
  delete [] pack_choice;
  memory->destroy(vector);
  memory->destroy(array);
  memory->destroy(indices);
}

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

void ComputePropertyLocal::init()
{
  if (kindflag == NEIGH || kindflag == PAIR) {
    if (force->pair == NULL)
      error->all(FLERR,"No pair style is defined for compute property/local");
    if (force->pair->single_enable == 0)
      error->all(FLERR,"Pair style does not support compute property/local");
  }

  // for NEIGH/PAIR need an occasional half neighbor list

  if (kindflag == NEIGH || kindflag == PAIR) {
    int irequest = neighbor->request((void *) this);
    neighbor->requests[irequest]->pair = 0;
    neighbor->requests[irequest]->compute = 1;
    neighbor->requests[irequest]->occasional = 1;
  }

  // do initial memory allocation so that memory_usage() is correct
  // cannot be done yet for NEIGH/PAIR, since neigh list does not exist

  if (kindflag == NEIGH) ncount = 0;
  else if (kindflag == PAIR) ncount = 0;
  else if (kindflag == BOND) ncount = count_bonds(0);
  else if (kindflag == ANGLE) ncount = count_angles(0);
  else if (kindflag == DIHEDRAL) ncount = count_dihedrals(0);
  else if (kindflag == IMPROPER) ncount = count_impropers(0);

  if (ncount > nmax) reallocate(ncount);
  size_local_rows = ncount;
}

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

void ComputePropertyLocal::init_list(int id, NeighList *ptr)
{
  list = ptr;
}

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

void ComputePropertyLocal::compute_local()
{
  invoked_local = update->ntimestep;

  // count local entries and generate list of indices

  if (kindflag == NEIGH) ncount = count_pairs(0,0);
  else if (kindflag == PAIR) ncount = count_pairs(0,1);
  else if (kindflag == BOND) ncount = count_bonds(0);
  else if (kindflag == ANGLE) ncount = count_angles(0);
  else if (kindflag == DIHEDRAL) ncount = count_dihedrals(0);
  else if (kindflag == IMPROPER) ncount = count_impropers(0);

  if (ncount > nmax) reallocate(ncount);
  size_local_rows = ncount;

  if (kindflag == NEIGH) ncount = count_pairs(1,0);
  else if (kindflag == PAIR) ncount = count_pairs(1,1);
  else if (kindflag == BOND) ncount = count_bonds(1);
  else if (kindflag == ANGLE) ncount = count_angles(1);
  else if (kindflag == DIHEDRAL) ncount = count_dihedrals(1);
  else if (kindflag == IMPROPER) ncount = count_impropers(1);

  // fill vector or array with local values

  if (nvalues == 1) {
    buf = vector;
    (this->*pack_choice[0])(0);
  } else {
    if (array) buf = &array[0][0];
    for (int n = 0; n < nvalues; n++)
      (this->*pack_choice[n])(n);
  }
}

/* ----------------------------------------------------------------------
   count pairs and compute pair info on this proc
   only count pair once if newton_pair is off
   both atom I,J must be in group
   if allflag is set, compute requested info about pair
   if forceflag = 1, pair must be within force cutoff, else neighbor cutoff
------------------------------------------------------------------------- */

int ComputePropertyLocal::count_pairs(int allflag, int forceflag)
{
  int i,j,m,n,ii,jj,inum,jnum,itype,jtype;
  double xtmp,ytmp,ztmp,delx,dely,delz,rsq;
  int *ilist,*jlist,*numneigh,**firstneigh;

  double **x = atom->x;
  
  int *type = atom->type;
  int *mask = atom->mask;
  int nlocal = atom->nlocal;
  
  int newton_pair = force->newton_pair;

  // invoke half neighbor list (will copy or build if necessary)

  if (allflag == 0) neighbor->build_one(list->index);

  inum = list->inum;
  ilist = list->ilist;
  numneigh = list->numneigh;
  firstneigh = list->firstneigh;

  // loop over neighbors of my atoms
  // skip if I or J are not in group

  double **cutsq = force->pair->cutsq;

  m = n = 0;
  for (ii = 0; ii < inum; ii++) {
    i = ilist[ii];
    if (!(mask[i] & groupbit)) continue;

    xtmp = x[i][0];
    ytmp = x[i][1];
    ztmp = x[i][2];
    itype = type[i];
    jlist = firstneigh[i];
    jnum = numneigh[i];

    for (jj = 0; jj < jnum; jj++) {
      j = jlist[jj];
      j &= NEIGHMASK;

      if (!(mask[j] & groupbit)) continue;
      if (newton_pair == 0 && j >= nlocal) continue;

      delx = xtmp - x[j][0];
      dely = ytmp - x[j][1];
      delz = ztmp - x[j][2];
      rsq = delx*delx + dely*dely + delz*delz;
      jtype = type[j];
      if (forceflag && rsq >= cutsq[itype][jtype]) continue;

      if (allflag) {
        indices[m][0] = i;
        indices[m][1] = j;
      }
      m++;
    }
  }

  return m;
}

/* ----------------------------------------------------------------------
   count bonds on this proc
   only count bond once if newton_bond is off
   all atoms in interaction must be in group
   all atoms in interaction must be known to proc
   if bond is deleted (type = 0), do not count
   if bond is turned off (type < 0), still count
------------------------------------------------------------------------- */

int ComputePropertyLocal::count_bonds(int flag)
{
  int i,atom1,atom2;

  int *num_bond = atom->num_bond;
  int **bond_atom = atom->bond_atom;
  int **bond_type = atom->bond_type;
  int *tag = atom->tag;
  int *mask = atom->mask;
  int nlocal = atom->nlocal;
  int newton_bond = force->newton_bond;

  int m = 0;
  for (atom1 = 0; atom1 < nlocal; atom1++) {
    if (!(mask[atom1] & groupbit)) continue;
    for (i = 0; i < num_bond[atom1]; i++) {
      atom2 = atom->map(bond_atom[atom1][i]);
      if (atom2 < 0 || !(mask[atom2] & groupbit)) continue;
      if (newton_bond == 0 && tag[atom1] > tag[atom2]) continue;
      if (bond_type[atom1][i] == 0) continue;

      if (flag) {
        indices[m][0] = atom1;
        indices[m][1] = i;
      }
      m++;
    }
  }

  return m;
}

/* ----------------------------------------------------------------------
   count angles on this proc
   only count if 2nd atom is the one storing the angle
   all atoms in interaction must be in group
   all atoms in interaction must be known to proc
   if angle is deleted (type = 0), do not count
   if angle is turned off (type < 0), still count
------------------------------------------------------------------------- */

int ComputePropertyLocal::count_angles(int flag)
{
  int i,atom1,atom2,atom3;

  int *num_angle = atom->num_angle;
  int **angle_atom1 = atom->angle_atom1;
  int **angle_atom2 = atom->angle_atom2;
  int **angle_atom3 = atom->angle_atom3;
  int **angle_type = atom->angle_type;
  int *tag = atom->tag;
  int *mask = atom->mask;
  int nlocal = atom->nlocal;

  int m = 0;
  for (atom2 = 0; atom2 < nlocal; atom2++) {
    if (!(mask[atom2] & groupbit)) continue;
    for (i = 0; i < num_angle[atom2]; i++) {
      if (tag[atom2] != angle_atom2[atom2][i]) continue;
      atom1 = atom->map(angle_atom1[atom2][i]);
      if (atom1 < 0 || !(mask[atom1] & groupbit)) continue;
      atom3 = atom->map(angle_atom3[atom2][i]);
      if (atom3 < 0 || !(mask[atom3] & groupbit)) continue;
      if (angle_type[atom2][i] == 0) continue;

      if (flag) {
        indices[m][0] = atom2;
        indices[m][1] = i;
      }
      m++;
    }
  }

  return m;
}

/* ----------------------------------------------------------------------
   count dihedrals on this proc
   only count if 2nd atom is the one storing the dihedral
   all atoms in interaction must be in group
   all atoms in interaction must be known to proc
------------------------------------------------------------------------- */

int ComputePropertyLocal::count_dihedrals(int flag)
{
  int i,atom1,atom2,atom3,atom4;

  int *num_dihedral = atom->num_dihedral;
  int **dihedral_atom1 = atom->dihedral_atom1;
  int **dihedral_atom2 = atom->dihedral_atom2;
  int **dihedral_atom3 = atom->dihedral_atom3;
  int **dihedral_atom4 = atom->dihedral_atom4;
  int *tag = atom->tag;
  int *mask = atom->mask;
  int nlocal = atom->nlocal;

  int m = 0;
  for (atom2 = 0; atom2 < nlocal; atom2++) {
    if (!(mask[atom2] & groupbit)) continue;
    for (i = 0; i < num_dihedral[atom2]; i++) {
      if (tag[atom2] != dihedral_atom2[atom2][i]) continue;
      atom1 = atom->map(dihedral_atom1[atom2][i]);
      if (atom1 < 0 || !(mask[atom1] & groupbit)) continue;
      atom3 = atom->map(dihedral_atom3[atom2][i]);
      if (atom3 < 0 || !(mask[atom3] & groupbit)) continue;
      atom4 = atom->map(dihedral_atom4[atom2][i]);
      if (atom4 < 0 || !(mask[atom4] & groupbit)) continue;

      if (flag) {
        indices[m][0] = atom2;
        indices[m][1] = i;
      }
      m++;
    }
  }

  return m;
}

/* ----------------------------------------------------------------------
   count impropers on this proc
   only count if 2nd atom is the one storing the improper
   all atoms in interaction must be in group
   all atoms in interaction must be known to proc
------------------------------------------------------------------------- */

int ComputePropertyLocal::count_impropers(int flag)
{
  int i,atom1,atom2,atom3,atom4;

  int *num_improper = atom->num_improper;
  int **improper_atom1 = atom->improper_atom1;
  int **improper_atom2 = atom->improper_atom2;
  int **improper_atom3 = atom->improper_atom3;
  int **improper_atom4 = atom->improper_atom4;
  int *tag = atom->tag;
  int *mask = atom->mask;
  int nlocal = atom->nlocal;

  int m = 0;
  for (atom2 = 0; atom2 < nlocal; atom2++) {
    if (!(mask[atom2] & groupbit)) continue;
    for (i = 0; i < num_improper[atom2]; i++) {
      if (tag[atom2] != improper_atom2[atom2][i]) continue;
      atom1 = atom->map(improper_atom1[atom2][i]);
      if (atom1 < 0 || !(mask[atom1] & groupbit)) continue;
      atom3 = atom->map(improper_atom3[atom2][i]);
      if (atom3 < 0 || !(mask[atom3] & groupbit)) continue;
      atom4 = atom->map(improper_atom4[atom2][i]);
      if (atom4 < 0 || !(mask[atom4] & groupbit)) continue;

      if (flag) {
        indices[m][0] = atom2;
        indices[m][1] = i;
      }
      m++;
    }
  }

  return m;
}

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

void ComputePropertyLocal::reallocate(int n)
{
  // grow vector or array and indices array

  while (nmax < n) nmax += DELTA;
  if (nvalues == 1) {
    memory->destroy(vector);
    memory->create(vector,nmax,"property/local:vector");
    vector_local = vector;
  } else {
    memory->destroy(array);
    memory->create(array,nmax,nvalues,"property/local:array");
    array_local = array;
  }

  memory->destroy(indices);
  memory->create(indices,nmax,2,"property/local:indices");
}

/* ----------------------------------------------------------------------
   memory usage of local data
------------------------------------------------------------------------- */

double ComputePropertyLocal::memory_usage()
{
  double bytes = nmax*nvalues * sizeof(double);
  bytes += nmax*2 * sizeof(int);
  return bytes;
}

/* ----------------------------------------------------------------------
   one method for every keyword compute property/local can output
   the atom property is packed into buf starting at n with stride nvalues
   customize a new keyword by adding a method
------------------------------------------------------------------------- */

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

void ComputePropertyLocal::pack_patom1(int n)
{
  int i;
  int *tag = atom->tag;

  for (int m = 0; m < ncount; m++) {
    i = indices[m][0];
    buf[n] = tag[i];
    n += nvalues;
  }
}

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

void ComputePropertyLocal::pack_patom2(int n)
{
  int i;
  int *tag = atom->tag;

  for (int m = 0; m < ncount; m++) {
    i = indices[m][1];
    buf[n] = tag[i];
    n += nvalues;
  }
}

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

void ComputePropertyLocal::pack_ptype1(int n)
{
  int i;
  int *type = atom->type;

  for (int m = 0; m < ncount; m++) {
    i = indices[m][0];
    buf[n] = type[i];
    n += nvalues;
  }
}

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

void ComputePropertyLocal::pack_ptype2(int n)
{
  int i;
  int *type = atom->type;

  for (int m = 0; m < ncount; m++) {
    i = indices[m][1];
    buf[n] = type[i];
    n += nvalues;
  }
}

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

void ComputePropertyLocal::pack_batom1(int n)
{
  int i;
  int *tag = atom->tag;

  for (int m = 0; m < ncount; m++) {
    i = indices[m][0];
    buf[n] = tag[i];
    n += nvalues;
  }
}

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

void ComputePropertyLocal::pack_batom2(int n)
{
  int i,j;
  int **bond_atom = atom->bond_atom;

  for (int m = 0; m < ncount; m++) {
    i = indices[m][0];
    j = indices[m][1];
    buf[n] = bond_atom[i][j];
    n += nvalues;
  }
}

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

void ComputePropertyLocal::pack_btype(int n)
{
  int i,j;
  int **bond_type = atom->bond_type;

  for (int m = 0; m < ncount; m++) {
    i = indices[m][0];
    j = indices[m][1];
    buf[n] = bond_type[i][j];
    n += nvalues;
  }
}

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

void ComputePropertyLocal::pack_aatom1(int n)
{
  int i,j;
  int **angle_atom1 = atom->angle_atom1;

  for (int m = 0; m < ncount; m++) {
    i = indices[m][0];
    j = indices[m][1];
    buf[n] = angle_atom1[i][j];
    n += nvalues;
  }
}

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

void ComputePropertyLocal::pack_aatom2(int n)
{
  int i,j;
  int **angle_atom2 = atom->angle_atom2;

  for (int m = 0; m < ncount; m++) {
    i = indices[m][0];
    j = indices[m][1];
    buf[n] = angle_atom2[i][j];
    n += nvalues;
  }
}

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

void ComputePropertyLocal::pack_aatom3(int n)
{
  int i,j;
  int **angle_atom3 = atom->angle_atom3;

  for (int m = 0; m < ncount; m++) {
    i = indices[m][0];
    j = indices[m][1];
    buf[n] = angle_atom3[i][j];
    n += nvalues;
  }
}

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

void ComputePropertyLocal::pack_atype(int n)
{
  int i,j;
  int **angle_type = atom->angle_type;

  for (int m = 0; m < ncount; m++) {
    i = indices[m][0];
    j = indices[m][1];
    buf[n] = angle_type[i][j];
    n += nvalues;
  }
}

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

void ComputePropertyLocal::pack_datom1(int n)
{
  int i,j;
  int **dihedral_atom1 = atom->dihedral_atom1;

  for (int m = 0; m < ncount; m++) {
    i = indices[m][0];
    j = indices[m][1];
    buf[n] = dihedral_atom1[i][j];
    n += nvalues;
  }
}

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

void ComputePropertyLocal::pack_datom2(int n)
{
  int i,j;
  int **dihedral_atom2 = atom->dihedral_atom2;

  for (int m = 0; m < ncount; m++) {
    i = indices[m][0];
    j = indices[m][1];
    buf[n] = dihedral_atom2[i][j];
    n += nvalues;
  }
}

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

void ComputePropertyLocal::pack_datom3(int n)
{
  int i,j;
  int **dihedral_atom3 = atom->dihedral_atom3;

  for (int m = 0; m < ncount; m++) {
    i = indices[m][0];
    j = indices[m][1];
    buf[n] = dihedral_atom3[i][j];
    n += nvalues;
  }
}

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

void ComputePropertyLocal::pack_datom4(int n)
{
  int i,j;
  int **dihedral_atom4 = atom->dihedral_atom4;

  for (int m = 0; m < ncount; m++) {
    i = indices[m][0];
    j = indices[m][1];
    buf[n] = dihedral_atom4[i][j];
    n += nvalues;
  }
}

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

void ComputePropertyLocal::pack_dtype(int n)
{
  int i,j;
  int **dihedral_type = atom->dihedral_type;

  for (int m = 0; m < ncount; m++) {
    i = indices[m][0];
    j = indices[m][1];
    buf[n] = dihedral_type[i][j];
    n += nvalues;
  }
}

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

void ComputePropertyLocal::pack_iatom1(int n)
{
  int i,j;
  int **improper_atom1 = atom->improper_atom1;

  for (int m = 0; m < ncount; m++) {
    i = indices[m][0];
    j = indices[m][1];
    buf[n] = improper_atom1[i][j];
    n += nvalues;
  }
}

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

void ComputePropertyLocal::pack_iatom2(int n)
{
  int i,j;
  int **improper_atom2 = atom->improper_atom2;

  for (int m = 0; m < ncount; m++) {
    i = indices[m][0];
    j = indices[m][1];
    buf[n] = improper_atom2[i][j];
    n += nvalues;
  }
}

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

void ComputePropertyLocal::pack_iatom3(int n)
{
  int i,j;
  int **improper_atom3 = atom->improper_atom3;

  for (int m = 0; m < ncount; m++) {
    i = indices[m][0];
    j = indices[m][1];
    buf[n] = improper_atom3[i][j];
    n += nvalues;
  }
}

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

void ComputePropertyLocal::pack_iatom4(int n)
{
  int i,j;
  int **improper_atom4 = atom->improper_atom4;

  for (int m = 0; m < ncount; m++) {
    i = indices[m][0];
    j = indices[m][1];
    buf[n] = improper_atom4[i][j];
    n += nvalues;
  }
}

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

void ComputePropertyLocal::pack_itype(int n)
{
  int i,j;
  int **improper_type = atom->improper_type;

  for (int m = 0; m < ncount; m++) {
    i = indices[m][0];
    j = indices[m][1];
    buf[n] = improper_type[i][j];
    n += nvalues;
  }
}
