Commit bea8025b authored by sjplimp's avatar sjplimp
Browse files 

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@186 f3b2605a-c512-4ea7-a41b-209d697bcdaa
parent b7fa9e90

src/GRANULAR/Install.csh

+4 −4
Original line number Diff line number Diff line
@@ -9,8 +9,8 @@ if ($1 == 1) then 
  cp atom_granular.cpp ..

  cp fix_freeze.cpp ..

  cp fix_gran_diag.cpp ..

  cp fix_insert.cpp ..

  cp fix_nve_gran.cpp ..

  cp fix_pour.cpp ..

  cp fix_shear_history.cpp ..

  cp fix_wall_gran.cpp ..

  cp pair_gran_hertzian.cpp ..
@@ -20,8 +20,8 @@ if ($1 == 1) then 
  cp atom_granular.h ..

  cp fix_freeze.h ..

  cp fix_gran_diag.h ..

  cp fix_insert.h ..

  cp fix_nve_gran.h ..

  cp fix_pour.h ..

#  cp fix_shear_history.h ..

  cp fix_wall_gran.h ..

  cp pair_gran_hertzian.h ..
@@ -36,8 +36,8 @@ else if ($1 == 0) then 
  rm ../atom_granular.cpp

  rm ../fix_freeze.cpp

  rm ../fix_gran_diag.cpp

  rm ../fix_insert.cpp

  rm ../fix_nve_gran.cpp

  rm ../fix_pour.cpp

  rm ../fix_shear_history.cpp

  rm ../fix_wall_gran.cpp

  rm ../pair_gran_hertzian.cpp
@@ -47,8 +47,8 @@ else if ($1 == 0) then 
  rm ../atom_granular.h

  rm ../fix_freeze.h

  rm ../fix_gran_diag.h

  rm ../fix_insert.h

  rm ../fix_nve_gran.h

  rm ../fix_pour.h

#  rm ../fix_shear_history.h

  rm ../fix_wall_gran.h

  rm ../pair_gran_hertzian.h

src/GRANULAR/fix_insert.cpp→src/GRANULAR/fix_pour.cpp

+54 −41
Original line number Diff line number Diff line
@@ -14,14 +14,14 @@ 
#include "math.h"

#include "stdlib.h"

#include "string.h"

#include "fix_insert.h"

#include "fix_pour.h"

#include "atom.h"

#include "force.h"

#include "update.h"

#include "comm.h"

#include "modify.h"

#include "fix_gravity.h"

#include "fix_shear_history.h"

#include "neighbor.h"

#include "domain.h"

#include "region.h"

#include "region_block.h"
@@ -34,12 +34,12 @@ 


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



FixInsert::FixInsert(int narg, char **arg) : Fix(narg, arg)

FixPour::FixPour(int narg, char **arg) : Fix(narg, arg)

{

  if (narg < 6) error->all("Illegal fix insert command");

  if (narg < 6) error->all("Illegal fix pour command");



  if (atom->check_style("granular") == 0)

    error->all("Must use fix insert with atom style granular");

    error->all("Must use fix pour with atom style granular");



  // required args
@@ -64,34 +64,34 @@ FixInsert::FixInsert(int narg, char **arg) : Fix(narg, arg) 
  int iarg = 6;

  while (iarg < narg) {

    if (strcmp(arg[iarg],"region") == 0) {

      if (iarg+2 > narg) error->all("Illegal fix insert command");

      if (iarg+2 > narg) error->all("Illegal fix pour command");

      for (iregion = 0; iregion < domain->nregion; iregion++)

	if (strcmp(arg[iarg+1],domain->regions[iregion]->id) == 0) break;

      if (iregion == domain->nregion) 

	error->all("Fix insert region ID does not exist");

	error->all("Fix pour region ID does not exist");

      iarg += 2;

    } else if (strcmp(arg[iarg],"diam") == 0) {

      if (iarg+3 > narg) error->all("Illegal fix insert command");

      if (iarg+3 > narg) error->all("Illegal fix pour command");

      radius_lo = 0.5 * atof(arg[iarg+1]);

      radius_hi = 0.5 * atof(arg[iarg+2]);

      iarg += 3;

    } else if (strcmp(arg[iarg],"dens") == 0) {

      if (iarg+3 > narg) error->all("Illegal fix insert command");

      if (iarg+3 > narg) error->all("Illegal fix pour command");

      density_lo = atof(arg[iarg+1]);

      density_hi = atof(arg[iarg+2]);

      iarg += 3;

    } else if (strcmp(arg[iarg],"vol") == 0) {

      if (iarg+3 > narg) error->all("Illegal fix insert command");

      if (iarg+3 > narg) error->all("Illegal fix pour command");

      volfrac = atof(arg[iarg+1]);

      maxattempt = atoi(arg[iarg+2]);

      iarg += 3;

    } else if (strcmp(arg[iarg],"rate") == 0) {

      if (iarg+2 > narg) error->all("Illegal fix insert command");

      if (iarg+2 > narg) error->all("Illegal fix pour command");

      rate = atof(arg[iarg+1]);

      iarg += 2;

    } else if (strcmp(arg[iarg],"vel") == 0) {

      if (force->dimension == 3) {

	if (iarg+6 > narg) error->all("Illegal fix insert command");

	if (iarg+6 > narg) error->all("Illegal fix pour command");

	vxlo = atof(arg[iarg+1]);

	vxhi = atof(arg[iarg+2]);

	vylo = atof(arg[iarg+3]);
@@ -99,24 +99,24 @@ FixInsert::FixInsert(int narg, char **arg) : Fix(narg, arg) 
	vz = atof(arg[iarg+5]);

	iarg += 6;

      } else {

	if (iarg+4 > narg) error->all("Illegal fix insert command");

	if (iarg+4 > narg) error->all("Illegal fix pour command");

	vxlo = atof(arg[iarg+1]);

	vxhi = atof(arg[iarg+2]);

	vy = atof(arg[iarg+3]);

	vz = 0.0;

	iarg += 4;

      }

    } else error->all("Illegal fix insert command");

    } else error->all("Illegal fix pour command");

  }



  // error check that a valid region was specified



  if (iregion == -1) error->all("Must specify a region in fix insert");

  if (iregion == -1) error->all("Must specify a region in fix pour");



  // error checks on region



  if (domain->regions[iregion]->interior == 0)

    error->all("Must use region with side = in with fix insert");

    error->all("Must use region with side = in with fix pour");



  if (strcmp(domain->regions[iregion]->style,"block") == 0) {

    region_style = 1;
@@ -139,15 +139,15 @@ FixInsert::FixInsert(int narg, char **arg) : Fix(narg, arg) 
    zlo = ((RegCylinder *) domain->regions[iregion])->lo;

    zhi = ((RegCylinder *) domain->regions[iregion])->hi;

    if (axis != 'z')

      error->all("Must use a z-axis cylinder with fix insert");

      error->all("Must use a z-axis cylinder with fix pour");

    if (xc-rc < domain->boxxlo || xc+rc > domain->boxxhi || 

	yc-rc < domain->boxylo || yc+rc > domain->boxyhi || 

	zlo < domain->boxzlo || zhi > domain->boxzhi)

      error->all("Insertion region extends outside simulation box");

  } else error->all("Must use a block or cylinder region with fix insert");

  } else error->all("Must use a block or cylinder region with fix pour");



  if (region_style == 2 && force->dimension == 2)

    error->all("Must use a block region with fix insert for 2d simulations");

    error->all("Must use a block region with fix pour for 2d simulations");



  // random number generator, same for all procs
@@ -219,7 +219,7 @@ FixInsert::FixInsert(int narg, char **arg) : Fix(narg, arg) 


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



FixInsert::~FixInsert()

FixPour::~FixPour()

{

  delete random;

  delete [] recvcounts;
@@ -228,7 +228,7 @@ FixInsert::~FixInsert() 


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



int FixInsert::setmask()

int FixPour::setmask()

{

  int mask = 0;

  mask |= PRE_EXCHANGE;
@@ -237,7 +237,7 @@ int FixInsert::setmask() 


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



void FixInsert::init()

void FixPour::init()

{

  // insure gravity fix exists

  // for 3d must point in -z, for 2d must point in -y
@@ -247,7 +247,7 @@ void FixInsert::init() 
  for (ifix = 0; ifix < modify->nfix; ifix++)

    if (strcmp(modify->fix[ifix]->style,"gravity") == 0) break;

  if (ifix == modify->nfix) 

    error->all("Must use fix gravity with fix insert");

    error->all("Must use fix gravity with fix pour");



  double phi = ((FixGravity *) modify->fix[ifix])->phi;

  double theta = ((FixGravity *) modify->fix[ifix])->theta;
@@ -260,11 +260,11 @@ void FixInsert::init() 
  if (force->dimension == 3) {

    if (fabs(xgrav) > EPSILON || fabs(ygrav) > EPSILON ||

	fabs(zgrav+1.0) > EPSILON)

      error->all("Gravity must point in -z to use with fix insert in 3d");

      error->all("Gravity must point in -z to use with fix pour in 3d");

  } else {

    if (fabs(xgrav) > EPSILON || fabs(ygrav+1.0) > EPSILON ||

	fabs(zgrav) > EPSILON)

      error->all("Gravity must point in -y to use with fix insert in 2d");

      error->all("Gravity must point in -y to use with fix pour in 2d");

  }



  // check if a shear history fix exists
@@ -279,7 +279,7 @@ void FixInsert::init() 
   perform particle insertion

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



void FixInsert::pre_exchange()

void FixPour::pre_exchange()

{

  int i;
@@ -316,9 +316,9 @@ void FixInsert::pre_exchange() 
  // xnear is for atoms from all procs + atoms to be inserted



  double **xmine = 

    memory->create_2d_double_array(ncount,4,"fix_insert:xmine");

    memory->create_2d_double_array(ncount,4,"fix_pour:xmine");

  double **xnear = 

    memory->create_2d_double_array(nprevious+nnew,4,"fix_insert:xnear");

    memory->create_2d_double_array(nprevious+nnew,4,"fix_pour:xnear");

  int nnear = nprevious;



  // setup for allgatherv
@@ -402,16 +402,17 @@ void FixInsert::pre_exchange() 
  if (nnear - nprevious < nnew && me == 0)

    error->warning("Less insertions than requested");



  // add new atoms in my sub-box to my arrays

  // initialize info about the atoms

  // check if new atom is in my sub-box or above it if I'm highest proc

  // if so, add to my list via create_one()

  // initialize info about the atom

  // type, diameter, density set from fix parameters

  // group mask set to "all" plus fix group

  // z velocity set to what velocity would be if particle

  //   had fallen from top of insertion region

  // this gives continuous stream of atoms

  // set npartner for new atoms to 0 (assume not touching any others)

  // set npartner for new atom to 0 (assume not touching any others)



  int m;

  int m,flag;

  double denstmp,vxtmp,vytmp,vztmp;

  double g = 1.0;
@@ -431,9 +432,19 @@ void FixInsert::pre_exchange() 
      vztmp = 0.0;

    }



    flag = 0;

    if (xtmp >= domain->subxlo && xtmp < domain->subxhi &&

	ytmp >= domain->subylo && ytmp < domain->subyhi &&

	ztmp >= domain->subzlo && ztmp < domain->subzhi) {

	ztmp >= domain->subzlo && ztmp < domain->subzhi) flag = 1;

    else if (force->dimension == 3 && ztmp >= domain->boxzhi &&

	     comm->myloc[2] == comm->procgrid[2]-1 &&

	     xtmp >= domain->subxlo && xtmp < domain->subxhi &&

	     ytmp >= domain->subylo && ytmp < domain->subyhi) flag = 1;

    else if (force->dimension == 2 && ytmp >= domain->boxyhi &&

	     comm->myloc[1] == comm->procgrid[1]-1 &&

	     xtmp >= domain->subxlo && xtmp < domain->subxhi) flag = 1;



    if (flag) {

      atom->create_one(ntype,xtmp,ytmp,ztmp);

      m = atom->nlocal - 1;

      atom->type[m] = ntype;
@@ -452,16 +463,18 @@ void FixInsert::pre_exchange() 
    }

  }



  // tag # of new particles grow beyond all previous atoms

  // set tag # of new particles beyond all previous atoms

  // reset global natoms

  // if global map exists, reset it



  if (atom->tag_enable) {

    atom->tag_extend();

    atom->natoms += nnear - nprevious;

    if (atom->map_style) {

      atom->map_init();

      atom->map_set();

    }

  }



  // free local memory
@@ -480,7 +493,7 @@ void FixInsert::pre_exchange() 
   use maximum diameter for inserted particle

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



int FixInsert::overlap(int i)

int FixPour::overlap(int i)

{

  double delta = radius_hi + atom->radius[i];

  double **x = atom->x;
@@ -508,7 +521,7 @@ int FixInsert::overlap(int i) 


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



void FixInsert::xyz_random(double h, double &x, double &y, double &z)

void FixPour::xyz_random(double h, double &x, double &y, double &z)

{

  if (force->dimension == 3) {

    if (region_style == 1) {

src/GRANULAR/fix_insert.h→src/GRANULAR/fix_pour.h

+5 −5
Original line number Diff line number Diff line
@@ -11,21 +11,21 @@ 
   See the README file in the top-level LAMMPS directory.

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



#ifndef FIX_INSERT_H

#define FIX_INSERT_H

#ifndef FIX_POUR_H

#define FIX_POUR_H



#include "fix.h"



class RanPark;



class FixInsert : public Fix {

class FixPour : public Fix {

  friend class PairGranHistory;

  friend class PairGranHertzian;

  friend class PairGranNoHistory;



 public:

  FixInsert(int, char **);

  ~FixInsert();

  FixPour(int, char **);

  ~FixPour();

  int setmask();

  void init();

  void pre_exchange();

src/GRANULAR/pair_gran_history.cpp

+4 −4
Original line number Diff line number Diff line
@@ -26,7 +26,7 @@ 
#include "update.h"

#include "modify.h"

#include "fix.h"

#include "fix_insert.h"

#include "fix_pour.h"

#include "comm.h"

#include "memory.h"

#include "neighbor.h"
@@ -390,9 +390,9 @@ void PairGranHistory::init_style() 
  MPI_Allreduce(&mine,&maxrad_dynamic,1,MPI_DOUBLE,MPI_MAX,world);



  for (i = 0; i < modify->nfix; i++)

    if (strcmp(modify->fix[i]->style,"insert") == 0)

    if (strcmp(modify->fix[i]->style,"pour") == 0)

      maxrad_dynamic =

	MAX(maxrad_dynamic,((FixInsert *) modify->fix[i])->radius_hi);

	MAX(maxrad_dynamic,((FixPour *) modify->fix[i])->radius_hi);



  double maxrad_frozen = 0.0;

  for (i = 0; i < nlocal; i++)

src/GRANULAR/pair_gran_history.h

+0 −1
Original line number Diff line number Diff line
@@ -20,7 +20,6 @@ class PairGranHistory : public Pair { 
  friend class Neighbor;

  friend class FixWallGran;

  friend class FixGranDiag;

  friend class FixInsert;



 public:

  PairGranHistory();

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