forked from lijiext/lammps
61 lines
1.8 KiB
Plaintext
61 lines
1.8 KiB
Plaintext
"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
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:link(lws,http://lammps.sandia.gov)
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:link(ld,Manual.html)
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:link(lc,Section_commands.html#comm)
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:line
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neighbor command :h3
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[Syntax:]
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neighbor skin style :pre
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skin = extra distance beyond force cutoff (distance units)
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style = {bin} or {nsq} :ul
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[Examples:]
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neighbor 0.3 bin
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neighbor 2.0 nsq :pre
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[Description: ]
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This command sets parameters that affect the building of the pairwise
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neighbor list. All atom pairs within a cutoff distance equal to the
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their force cutoff plus the {skin} distance are stored in the list.
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Typically, the larger the skin distance, the less often neighbor lists
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need to be built, but more pairs must be checked for possible force
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interactions every timestep.
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The {style} value chooses what algorithm is used to build the list.
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{Binning} is an operation that scales linearly with N, the number of
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atoms on a processor. It is almost always faster than the {nsq} style
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which scales as N^2. For unsolvated small molecules in a non-periodic
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box, the {nsq} choice can sometimes be faster. Either style should
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give the same answers.
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The default values for {skin} and {style} depend on the choice of
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units for the simulation.
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The "neigh_modify"_neigh_modify.html command has additional options
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that control how often neighbor lists are built and which pairs are
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stored in the list.
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When a run is finished, counts of the number of neighbors stored in
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the pairwise list and the number of times neighbor lists were built
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are printed to the screen and log file. See "this
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section"_Section_start.html#2_5 for details.
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[Restrictions:] none
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[Related commands:]
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"neigh_modify"_neigh_modify.html, "units"_units.html
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[Default:]
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0.3 bin for lj units
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2.0 bin for real or metal units :pre
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