git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2091 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2008-08-21 14:03:21 +00:00
parent 4fbc6f42c0
commit dd589582e8
4 changed files with 42 additions and 42 deletions

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@ -59,14 +59,14 @@ specified group) will still migrate to new processors as they move.
The group specified with this option must also be specified via the
<A HREF = "atom_modify.html">atom_modify first</A> command.
</P>
<P>The <I>cutoff</I> option allows you to set a ghost cutoff distance which is
the distance from the borders of a processor's sub-domain at which
<P>The <I>cutoff</I> option allows you to set a ghost cutoff distance, which
is the distance from the borders of a processor's sub-domain at which
ghost atoms are acquired from other processors. By default the ghost
cutoff = the neighbor cutoff = the pairwise force cutoff + the
neighbor skin. See the <A HREF = "neighbor.html">neighbor</A> command for more
information about the skin distance. If the specified Rcut is greater
than the neighbor cutoff, then extra ghost atoms will be acquired. If
it is smaller, the ghost cutoff is set to the neighbor cutoff.
cutoff = neighbor cutoff = pairwise force cutoff + neighbor skin. See
the <A HREF = "neighbor.html">neighbor</A> command for more information about the
skin distance. If the specified Rcut is greater than the neighbor
cutoff, then extra ghost atoms will be acquired. If it is smaller,
the ghost cutoff is set to the neighbor cutoff.
</P>
<P>These are simulation scenarios in which it may be useful to set a
ghost cutoff > neighbor cutoff:
@ -107,5 +107,7 @@ find the needed atoms.
<P><B>Default:</B>
</P>
<P>The default settings are style = single, group = all, cutoff = 0.0.
The cutoff default of 0.0 means that effectively ghost cutoff =
neighbor cutoff = pairwise force cutoff + neighbor skin.
</P>
</HTML>

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@ -52,14 +52,14 @@ specified group) will still migrate to new processors as they move.
The group specified with this option must also be specified via the
"atom_modify first"_atom_modify.html command.
The {cutoff} option allows you to set a ghost cutoff distance which is
the distance from the borders of a processor's sub-domain at which
The {cutoff} option allows you to set a ghost cutoff distance, which
is the distance from the borders of a processor's sub-domain at which
ghost atoms are acquired from other processors. By default the ghost
cutoff = the neighbor cutoff = the pairwise force cutoff + the
neighbor skin. See the "neighbor"_neighbor.html command for more
information about the skin distance. If the specified Rcut is greater
than the neighbor cutoff, then extra ghost atoms will be acquired. If
it is smaller, the ghost cutoff is set to the neighbor cutoff.
cutoff = neighbor cutoff = pairwise force cutoff + neighbor skin. See
the "neighbor"_neighbor.html command for more information about the
skin distance. If the specified Rcut is greater than the neighbor
cutoff, then extra ghost atoms will be acquired. If it is smaller,
the ghost cutoff is set to the neighbor cutoff.
These are simulation scenarios in which it may be useful to set a
ghost cutoff > neighbor cutoff:
@ -100,3 +100,5 @@ find the needed atoms.
[Default:]
The default settings are style = single, group = all, cutoff = 0.0.
The cutoff default of 0.0 means that effectively ghost cutoff =
neighbor cutoff = pairwise force cutoff + neighbor skin.

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@ -26,21 +26,19 @@ neighbor 2.0 nsq
<P><B>Description:</B>
</P>
<P>This command sets parameters that affect the building of pairwise
neighbor lists. All atom pairs within a cutoff distance equal to the
their force cutoff plus the <I>skin</I> distance are stored in the list.
Typically, the larger the skin distance, the less often neighbor lists
need to be built, but more pairs must be checked for possible force
interactions every timestep. The default value for <I>skin</I> depends on
the choice of units for the simulation; see the default values below.
neighbor lists. All atom pairs within a neighbor cutoff distance
equal to the their force cutoff plus the <I>skin</I> distance are stored in
the list. Typically, the larger the skin distance, the less often
neighbor lists need to be built, but more pairs must be checked for
possible force interactions every timestep. The default value for
<I>skin</I> depends on the choice of units for the simulation; see the
default values below.
</P>
<P>Even if pairwise neighbor lists are not used in a simulation (e.g. a
pair potential is not defined), the skin distance may still determine
how often atoms migrate to new processors due to atom motion and
should thus be set appropriately. This is because atoms migrate on
the same timestep that neighbor lists are built. See the various
settings of the <A HREF = "neigh_modify">neigh_modify</A> command which control when
neighbor lists are built, based on atom movement via the "check yes"
option.
<P>The <I>skin</I> distance is also used to determine how often atoms migrate
to new processors if the <I>check</I> option of the
<A HREF = "neigh_modify">neigh_modify</A> command is set to <I>yes</I>. Atoms are
migrated (communicated) to new processors on the same timestep that
neighbor lists are re-built.
</P>
<P>The <I>style</I> value selects what algorithm is used to build the list.
The <I>bin</I> style creates the list by binning which is an operation that

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@ -23,21 +23,19 @@ neighbor 2.0 nsq :pre
[Description:]
This command sets parameters that affect the building of pairwise
neighbor lists. All atom pairs within a cutoff distance equal to the
their force cutoff plus the {skin} distance are stored in the list.
Typically, the larger the skin distance, the less often neighbor lists
need to be built, but more pairs must be checked for possible force
interactions every timestep. The default value for {skin} depends on
the choice of units for the simulation; see the default values below.
neighbor lists. All atom pairs within a neighbor cutoff distance
equal to the their force cutoff plus the {skin} distance are stored in
the list. Typically, the larger the skin distance, the less often
neighbor lists need to be built, but more pairs must be checked for
possible force interactions every timestep. The default value for
{skin} depends on the choice of units for the simulation; see the
default values below.
Even if pairwise neighbor lists are not used in a simulation (e.g. a
pair potential is not defined), the skin distance may still determine
how often atoms migrate to new processors due to atom motion and
should thus be set appropriately. This is because atoms migrate on
the same timestep that neighbor lists are built. See the various
settings of the "neigh_modify"_neigh_modify command which control when
neighbor lists are built, based on atom movement via the "check yes"
option.
The {skin} distance is also used to determine how often atoms migrate
to new processors if the {check} option of the
"neigh_modify"_neigh_modify command is set to {yes}. Atoms are
migrated (communicated) to new processors on the same timestep that
neighbor lists are re-built.
The {style} value selects what algorithm is used to build the list.
The {bin} style creates the list by binning which is an operation that