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This commit is contained in:
Axel Kohlmeyer
2023-06-25 05:47:21 -04:00
parent fab01c7d5f
commit bfa39a37ff
2 changed files with 33 additions and 33 deletions
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30
src/grid2d.h
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@ -53,7 +53,7 @@ class Grid2d : protected Pointers {
void read_file(int, void *, FILE *, int, int); void read_file(int, void *, FILE *, int, int);
void write_file(int, void *, int, int, int, MPI_Datatype); void write_file(int, void *, int, int, int, MPI_Datatype);
protected: protected:
int me, nprocs; int me, nprocs;
int layout; // not TILED or TILED, same as Comm class int layout; // not TILED or TILED, same as Comm class
MPI_Comm gridcomm; // communicator for this class MPI_Comm gridcomm; // communicator for this class
@ -61,18 +61,18 @@ protected:
// inputs from caller via constructor // inputs from caller via constructor
int nx, ny; // size of global grid in both dims int nx, ny; // size of global grid in both dims
double maxdist; // distance owned atoms can move outside subdomain double maxdist; // distance owned atoms can move outside subdomain
int stencil_atom_lo,stencil_atom_hi; // grid cells accessed beyond atom's cell int stencil_atom_lo, stencil_atom_hi; // grid cells accessed beyond atom's cell
int stencil_grid_lo,stencil_grid_hi; // grid cells accessed beyond owned cell int stencil_grid_lo, stencil_grid_hi; // grid cells accessed beyond owned cell
double shift_grid; // location of grid point within grid cell double shift_grid; // location of grid point within grid cell
// only affects which proc owns grid cell // only affects which proc owns grid cell
double shift_atom_lo,shift_atom_hi; // max shift applied to atoms double shift_atom_lo, shift_atom_hi; // max shift applied to atoms
// when mapped to grid cell by caller // when mapped to grid cell by caller
// can be different in lo/hi directions // can be different in lo/hi directions
// only affects extent of ghost cells // only affects extent of ghost cells
int yextra; // 1 if extra grid cells in Y, 0 if not int yextra; // 1 if extra grid cells in Y, 0 if not
double yfactor; // multiplier on extent of grid in Y direction double yfactor; // multiplier on extent of grid in Y direction
// extent of my owned and ghost cells // extent of my owned and ghost cells
@ -190,11 +190,11 @@ protected:
// internal variables for OVERLAP operation // internal variables for OVERLAP operation
// ------------------------------------------- // -------------------------------------------
int *overlap_procs; // length of Nprocs in communicator int *overlap_procs; // length of Nprocs in communicator
// BRICK decomposition // BRICK decomposition
double *xsplit,*ysplit,*zsplit; double *xsplit, *ysplit, *zsplit;
int ***grid2proc; int ***grid2proc;
// TILED decomposition // TILED decomposition

36
src/grid3d.h
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@ -23,8 +23,8 @@ class Grid3d : protected Pointers {
enum { KSPACE = 0, PAIR = 1, FIX = 2 }; // calling classes enum { KSPACE = 0, PAIR = 1, FIX = 2 }; // calling classes
Grid3d(class LAMMPS *, MPI_Comm, int, int, int); Grid3d(class LAMMPS *, MPI_Comm, int, int, int);
Grid3d(class LAMMPS *, MPI_Comm, int, int, int, Grid3d(class LAMMPS *, MPI_Comm, int, int, int, int, int, int, int, int, int, int, int, int, int,
int, int, int, int, int, int, int, int, int, int, int, int); int, int);
~Grid3d(); ~Grid3d();
void set_distance(double); void set_distance(double);
@ -41,8 +41,8 @@ class Grid3d : protected Pointers {
void get_bounds_owned(int &, int &, int &, int &, int &, int &); void get_bounds_owned(int &, int &, int &, int &, int &, int &);
void get_bounds_ghost(int &, int &, int &, int &, int &, int &); void get_bounds_ghost(int &, int &, int &, int &, int &, int &);
void setup_grid(int &, int &, int &, int &, int &, int &, void setup_grid(int &, int &, int &, int &, int &, int &, int &, int &, int &, int &, int &,
int &, int &, int &, int &, int &, int &); int &);
void setup_comm(int &, int &); void setup_comm(int &, int &);
int ghost_adjacent(); int ghost_adjacent();
@ -63,18 +63,18 @@ class Grid3d : protected Pointers {
// input from caller // input from caller
int nx, ny, nz; // size of global grid in all 3 dims int nx, ny, nz; // size of global grid in all 3 dims
double maxdist; // distance owned atoms can move outside subdomain double maxdist; // distance owned atoms can move outside subdomain
int stencil_atom_lo,stencil_atom_hi; // grid cells accessed beyond atom's cell int stencil_atom_lo, stencil_atom_hi; // grid cells accessed beyond atom's cell
int stencil_grid_lo,stencil_grid_hi; // grid cells accessed beyond owned cell int stencil_grid_lo, stencil_grid_hi; // grid cells accessed beyond owned cell
double shift_grid; // location of grid point within grid cell double shift_grid; // location of grid point within grid cell
// only affects which proc owns grid cell // only affects which proc owns grid cell
double shift_atom_lo,shift_atom_hi; // max shift applied to atoms double shift_atom_lo, shift_atom_hi; // max shift applied to atoms
// when mapped to grid cell by caller // when mapped to grid cell by caller
// can be different in lo/hi directions // can be different in lo/hi directions
// only affects extent of ghost cells // only affects extent of ghost cells
int zextra; // 1 if extra grid cells in Z, 0 if not int zextra; // 1 if extra grid cells in Z, 0 if not
double zfactor; // multiplier on extent of grid in Z direction double zfactor; // multiplier on extent of grid in Z direction
// extent of my owned and ghost cells // extent of my owned and ghost cells
@ -196,11 +196,11 @@ class Grid3d : protected Pointers {
// internal variables for OVERLAP operation // internal variables for OVERLAP operation
// ------------------------------------------- // -------------------------------------------
int *overlap_procs; // length of Nprocs in communicator int *overlap_procs; // length of Nprocs in communicator
// BRICK decomposition // BRICK decomposition
double *xsplit,*ysplit,*zsplit; double *xsplit, *ysplit, *zsplit;
int ***grid2proc; int ***grid2proc;
// TILED decomposition // TILED decomposition