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Fix issues in compute ave/sphere/atom

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This commit is contained in:
Stan Moore
2022-06-06 15:15:47 -07:00
parent ceb9466172
commit 5c68fe6e81
5 changed files with 62 additions and 18 deletions
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6
doc/src/compute_ave_sphere_atom.rst
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@ -35,7 +35,7 @@ Examples
Description
"""""""""""
Define a computation that calculates the local density and temperature
Define a computation that calculates the local mass density and temperature
for each atom and neighbors inside a spherical cutoff.
The optional keyword *cutoff* defines the distance cutoff
@ -58,7 +58,7 @@ too frequently.
interactions between atoms in the same bond, angle, or dihedral. This
is the default setting for the :doc:`special_bonds <special_bonds>`
command, and means those pairwise interactions do not appear in the
neighbor list. Because this fix uses the neighbor list, it also means
neighbor list. Because this compute uses the neighbor list, it also means
those pairs will not be included in the order parameter. This
difficulty can be circumvented by writing a dump file, and using the
:doc:`rerun <rerun>` command to compute the order parameter for
@ -77,7 +77,7 @@ too frequently.
Output info
"""""""""""
This compute calculates a per-atom array with two columns: density and temperature.
This compute calculates a per-atom array with two columns: mass density and temperature.
These values can be accessed by any command that uses per-atom values
from a compute as input. See the :doc:`Howto output <Howto_output>` doc