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more details on dump snapshot header values

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Steve Plimpton
2023-01-13 12:34:05 -07:00
parent 9169d88090
commit 651e95654c
1 changed files with 18 additions and 11 deletions
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doc/src/dump.rst
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@ -363,8 +363,9 @@ attributes is given below.
.. versionadded:: 22Dec2022
For style *grid* the dimension and extent of the Nx by Ny by Nz grid
that overlays the simulation domain is also output with each snapshot:
For style *grid* the dimension of the simulation domain and size of
the Nx by Ny by Nz grid that overlays the simulation domain are also
output with each snapshot:
.. parsed-literal::
@ -373,15 +374,21 @@ that overlays the simulation domain is also output with each snapshot:
ITEM: GRID SIZE
nx ny nz
Dim will be 2 or 3 for 2d or 3d simulations. For 2d simulations, nz
will be 1. There will also be an "ITEM: GRID DATA" line which
includes column descriptors for the per grid cell data. Each
subsequent line (Nx * Ny * Nz lines) will list the data for a single
grid cell. If grid cell IDs are included in the output via the
:doc:`compute property/grid <compute_property_grid>` command, then the
IDs will range from 1 to N = Nx*Ny*Nz. The ordering of IDs is with
the x index varying fastest, then the y index, and the z index varying
slowest.
The value dim will be 2 or 3 for 2d or 3d simulations. It is included
so that post-processing tools like `OVITO <https://www.ovito.org>`,
which can visualize grid-based quantities know how to draw each grid
cell. The grid size will match the input script parameters for
grid(s) created by the computes or fixes which are referenced by the
the dump command. For 2d simulations (and grids), nz will always
be 1.
There will also be an "ITEM: GRID DATA" line which includes column
descriptors for the per grid cell data. Each subsequent line (Nx *
Ny * Nz lines) will list the data for a single grid cell. If grid
cell IDs are included in the output via the :doc:`compute
property/grid <compute_property_grid>` command, then the IDs will
range from 1 to N = Nx*Ny*Nz. The ordering of IDs is with the x index
varying fastest, then the y index, and the z index varying slowest.
For style *local*, local output generated by :doc:`computes <compute>`
and :doc:`fixes <fix>` is used to generate lines of output that is