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Steve Plimpton
2023-08-02 16:30:26 -06:00
parent 3e7f1ac83a
commit 9617c8e3d2
1 changed files with 12 additions and 6 deletions
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18
doc/src/compute_property_grid.rst
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@ -19,6 +19,7 @@ Syntax
attributes = id, ix, iy, iz, x, y, z, xs, ys, zs, xc, yc, zc, xsc, ysc, zsc
id = ID of grid cell, x fastest, y next, z slowest
proc = processor ID (0 to Nprocs-1) which owns the grid cell
ix,iy,iz = grid indices in each dimension (1 to N inclusive)
x,y,z = coords of lower left corner of grid cell
xs,ys,zs = scaled coords of lower left corner of grid cell (0.0 to 1.0)
@ -30,8 +31,8 @@ Examples
.. code-block:: LAMMPS
compute 1 all property/grid id ix iy iz
compute 1 all property/grid id xc yc zc
compute 1 all property/grid 10 10 20 id ix iy iz
compute 1 all property/grid 100 100 1 id xc yc zc
Description
"""""""""""
@ -53,13 +54,18 @@ to output per-grid values from other computes of fixes, the grid size
specified for this command must be consistent with the grid sizes
used by the other commands.
The *id* attribute stores the grid ID for each grid cell. For a
global grid of size Nx by Ny by Nz (in 3d simulations) the grid IDs
range from 1 to Nx*Ny*Nz. They are ordered with the X index of the 3d
grid varying fastest, then Y, then Z slowest. For 2d grids (in 2d
The *id* attribute is the grid ID for each grid cell. For a global
grid of size Nx by Ny by Nz (in 3d simulations) the grid IDs range
from 1 to Nx*Ny*Nz. They are ordered with the X index of the 3d grid
varying fastest, then Y, then Z slowest. For 2d grids (in 2d
simulations), the grid IDs range from 1 to Nx*Ny, with X varying
fastest and Y slowest.
The *proc* attribute is the ID of the processor which owns the grid
cell. Processor IDs range from 0 to Nprocs - 1, where Nprocs is the
number of processors the simulation is running on. Each grid cell is
owned by a single processor.
The *ix*, *iy*, *iz* attributes are the indices of a grid cell in
each dimension. They range from 1 to Nx inclusive in the X dimension,
and similar for Y and Z.