diff --git a/src/grid2d.h b/src/grid2d.h index fd6b5efd1e..6c1cca5f9d 100644 --- a/src/grid2d.h +++ b/src/grid2d.h @@ -53,7 +53,7 @@ class Grid2d : protected Pointers { void read_file(int, void *, FILE *, int, int); void write_file(int, void *, int, int, int, MPI_Datatype); -protected: + protected: int me, nprocs; int layout; // not TILED or TILED, same as Comm class MPI_Comm gridcomm; // communicator for this class @@ -61,18 +61,18 @@ protected: // inputs from caller via constructor - int nx, ny; // size of global grid in both dims - 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_grid_lo,stencil_grid_hi; // grid cells accessed beyond owned cell - double shift_grid; // location of grid point within grid cell - // only affects which proc owns grid cell - double shift_atom_lo,shift_atom_hi; // max shift applied to atoms - // when mapped to grid cell by caller - // can be different in lo/hi directions - // only affects extent of ghost cells - int yextra; // 1 if extra grid cells in Y, 0 if not - double yfactor; // multiplier on extent of grid in Y direction + int nx, ny; // size of global grid in both dims + 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_grid_lo, stencil_grid_hi; // grid cells accessed beyond owned cell + double shift_grid; // location of grid point within grid cell + // only affects which proc owns grid cell + double shift_atom_lo, shift_atom_hi; // max shift applied to atoms + // when mapped to grid cell by caller + // can be different in lo/hi directions + // only affects extent of ghost cells + int yextra; // 1 if extra grid cells in Y, 0 if not + double yfactor; // multiplier on extent of grid in Y direction // extent of my owned and ghost cells @@ -190,11 +190,11 @@ protected: // internal variables for OVERLAP operation // ------------------------------------------- - int *overlap_procs; // length of Nprocs in communicator + int *overlap_procs; // length of Nprocs in communicator // BRICK decomposition - double *xsplit,*ysplit,*zsplit; + double *xsplit, *ysplit, *zsplit; int ***grid2proc; // TILED decomposition diff --git a/src/grid3d.h b/src/grid3d.h index c15d5ac7f2..e4a8e276f5 100644 --- a/src/grid3d.h +++ b/src/grid3d.h @@ -23,8 +23,8 @@ class Grid3d : protected Pointers { 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, - int, int, int, int, int, int, int, int, int, int, int, int); + Grid3d(class LAMMPS *, MPI_Comm, int, int, int, int, int, int, int, int, int, int, int, int, int, + int, int); ~Grid3d(); 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_ghost(int &, int &, int &, int &, int &, int &); - void setup_grid(int &, int &, int &, int &, int &, int &, - int &, int &, int &, int &, int &, int &); + void setup_grid(int &, int &, int &, int &, int &, int &, int &, int &, int &, int &, int &, + int &); void setup_comm(int &, int &); int ghost_adjacent(); @@ -63,18 +63,18 @@ class Grid3d : protected Pointers { // input from caller - int nx, ny, nz; // size of global grid in all 3 dims - 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_grid_lo,stencil_grid_hi; // grid cells accessed beyond owned cell - double shift_grid; // location of grid point within grid cell - // only affects which proc owns grid cell - double shift_atom_lo,shift_atom_hi; // max shift applied to atoms - // when mapped to grid cell by caller - // can be different in lo/hi directions - // only affects extent of ghost cells - int zextra; // 1 if extra grid cells in Z, 0 if not - double zfactor; // multiplier on extent of grid in Z direction + int nx, ny, nz; // size of global grid in all 3 dims + 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_grid_lo, stencil_grid_hi; // grid cells accessed beyond owned cell + double shift_grid; // location of grid point within grid cell + // only affects which proc owns grid cell + double shift_atom_lo, shift_atom_hi; // max shift applied to atoms + // when mapped to grid cell by caller + // can be different in lo/hi directions + // only affects extent of ghost cells + int zextra; // 1 if extra grid cells in Z, 0 if not + double zfactor; // multiplier on extent of grid in Z direction // extent of my owned and ghost cells @@ -196,11 +196,11 @@ class Grid3d : protected Pointers { // internal variables for OVERLAP operation // ------------------------------------------- - int *overlap_procs; // length of Nprocs in communicator + int *overlap_procs; // length of Nprocs in communicator // BRICK decomposition - double *xsplit,*ysplit,*zsplit; + double *xsplit, *ysplit, *zsplit; int ***grid2proc; // TILED decomposition