Commit 5a79c0b4 authored by sjplimp's avatar sjplimp
Browse files

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2281 f3b2605a-c512-4ea7-a41b-209d697bcdaa
parent 4d0f8ccf
Loading
Loading
Loading
Loading
+33 −0
Original line number Diff line number Diff line
@@ -24,6 +24,7 @@
#include "neighbor.h"
#include "neigh_list.h"
#include "neigh_request.h"
#include "random_mars.h"
#include "memory.h"
#include "error.h"

@@ -56,6 +57,7 @@ void DeleteAtoms::command(int narg, char **arg)
  if (strcmp(arg[0],"group") == 0) delete_group(narg,arg);
  else if (strcmp(arg[0],"region") == 0) delete_region(narg,arg);
  else if (strcmp(arg[0],"overlap") == 0) delete_overlap(narg,arg);
  else if (strcmp(arg[0],"porosity") == 0) delete_porosity(narg,arg);
  else error->all("Illegal delete_atoms command");

  // delete local atoms flagged in dlist
@@ -301,3 +303,34 @@ void DeleteAtoms::delete_overlap(int narg, char **arg)
    }
  }
}

/* ----------------------------------------------------------------------
   create porosity by deleting atoms in a specified region 
------------------------------------------------------------------------- */

void DeleteAtoms::delete_porosity(int narg, char **arg)
{
  if (narg != 4) error->all("Illegal delete_atoms command");

  int iregion = domain->find_region(arg[1]);
  if (iregion == -1) error->all("Could not find delete_atoms region ID");

  double porosity_fraction = atof(arg[2]);
  int seed = atoi(arg[3]);

  RanMars *random = new RanMars(lmp,seed + comm->me);

  // allocate and initialize deletion list
 
  int nlocal = atom->nlocal;
  dlist = (int *) memory->smalloc(nlocal*sizeof(int),"delete_atoms:dlist");
  for (int i = 0; i < nlocal; i++) dlist[i] = 0;

  double **x = atom->x;

  for (int i = 0; i < nlocal; i++)
    if (domain->regions[iregion]->match(x[i][0],x[i][1],x[i][2]))
      if (random->uniform() <= porosity_fraction) dlist[i] = 1;
}

+1 −0
Original line number Diff line number Diff line
@@ -29,6 +29,7 @@ class DeleteAtoms : protected Pointers {
  void delete_group(int, char **);
  void delete_region(int, char **);
  void delete_overlap(int, char **);
  void delete_porosity(int, char **);
};

}
Baidu
map