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Minor updates and documentation

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This commit is contained in:
Joel Clemmer
2020-10-09 11:38:18 -06:00
parent bc1c16d1a6
commit dc86c37e23
7 changed files with 19 additions and 11 deletions
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doc/src/comm_modify.rst
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@ -84,13 +84,15 @@ information is available, then also a heuristic based on that bond length
is computed. It is used as communication cutoff, if there is no pair
style present and no *comm_modify cutoff* command used. Otherwise a
warning is printed, if this bond based estimate is larger than the
communication cutoff used. A
communication cutoff used.
The *cutoff/multi* option is equivalent to *cutoff*\ , but applies to
communication mode *multi* instead. Since in this case the communication
cutoffs are determined per atom type, a type specifier is needed and
cutoff for one or multiple types can be extended. Also ranges of types
using the usual asterisk notation can be given.
using the usual asterisk notation can be given. For granular pairstyles,
the default cutoff is set to the sum of the current maximum atomic radii
for each type.
These are simulation scenarios in which it may be useful or even
necessary to set a ghost cutoff > neighbor cutoff: