forked from lijiext/lammps
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2091 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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@ -59,14 +59,14 @@ specified group) will still migrate to new processors as they move.
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The group specified with this option must also be specified via the
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<A HREF = "atom_modify.html">atom_modify first</A> command.
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</P>
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<P>The <I>cutoff</I> option allows you to set a ghost cutoff distance which is
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the distance from the borders of a processor's sub-domain at which
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<P>The <I>cutoff</I> option allows you to set a ghost cutoff distance, which
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is the distance from the borders of a processor's sub-domain at which
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ghost atoms are acquired from other processors. By default the ghost
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cutoff = the neighbor cutoff = the pairwise force cutoff + the
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neighbor skin. See the <A HREF = "neighbor.html">neighbor</A> command for more
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information about the skin distance. If the specified Rcut is greater
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than the neighbor cutoff, then extra ghost atoms will be acquired. If
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it is smaller, the ghost cutoff is set to the neighbor cutoff.
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cutoff = neighbor cutoff = pairwise force cutoff + neighbor skin. See
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the <A HREF = "neighbor.html">neighbor</A> command for more information about the
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skin distance. If the specified Rcut is greater than the neighbor
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cutoff, then extra ghost atoms will be acquired. If it is smaller,
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the ghost cutoff is set to the neighbor cutoff.
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</P>
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<P>These are simulation scenarios in which it may be useful to set a
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ghost cutoff > neighbor cutoff:
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@ -107,5 +107,7 @@ find the needed atoms.
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<P><B>Default:</B>
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</P>
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<P>The default settings are style = single, group = all, cutoff = 0.0.
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The cutoff default of 0.0 means that effectively ghost cutoff =
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neighbor cutoff = pairwise force cutoff + neighbor skin.
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</P>
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</HTML>
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@ -52,14 +52,14 @@ specified group) will still migrate to new processors as they move.
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The group specified with this option must also be specified via the
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"atom_modify first"_atom_modify.html command.
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The {cutoff} option allows you to set a ghost cutoff distance which is
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the distance from the borders of a processor's sub-domain at which
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The {cutoff} option allows you to set a ghost cutoff distance, which
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is the distance from the borders of a processor's sub-domain at which
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ghost atoms are acquired from other processors. By default the ghost
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cutoff = the neighbor cutoff = the pairwise force cutoff + the
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neighbor skin. See the "neighbor"_neighbor.html command for more
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information about the skin distance. If the specified Rcut is greater
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than the neighbor cutoff, then extra ghost atoms will be acquired. If
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it is smaller, the ghost cutoff is set to the neighbor cutoff.
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cutoff = neighbor cutoff = pairwise force cutoff + neighbor skin. See
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the "neighbor"_neighbor.html command for more information about the
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skin distance. If the specified Rcut is greater than the neighbor
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cutoff, then extra ghost atoms will be acquired. If it is smaller,
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the ghost cutoff is set to the neighbor cutoff.
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These are simulation scenarios in which it may be useful to set a
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ghost cutoff > neighbor cutoff:
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@ -100,3 +100,5 @@ find the needed atoms.
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[Default:]
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The default settings are style = single, group = all, cutoff = 0.0.
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The cutoff default of 0.0 means that effectively ghost cutoff =
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neighbor cutoff = pairwise force cutoff + neighbor skin.
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@ -26,21 +26,19 @@ neighbor 2.0 nsq
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<P><B>Description:</B>
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</P>
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<P>This command sets parameters that affect the building of pairwise
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neighbor lists. All atom pairs within a cutoff distance equal to the
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their force cutoff plus the <I>skin</I> 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. The default value for <I>skin</I> depends on
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the choice of units for the simulation; see the default values below.
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neighbor lists. All atom pairs within a neighbor cutoff distance
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equal to the their force cutoff plus the <I>skin</I> distance are stored in
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the list. Typically, the larger the skin distance, the less often
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neighbor lists need to be built, but more pairs must be checked for
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possible force interactions every timestep. The default value for
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<I>skin</I> depends on the choice of units for the simulation; see the
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default values below.
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</P>
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<P>Even if pairwise neighbor lists are not used in a simulation (e.g. a
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pair potential is not defined), the skin distance may still determine
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how often atoms migrate to new processors due to atom motion and
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should thus be set appropriately. This is because atoms migrate on
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the same timestep that neighbor lists are built. See the various
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settings of the <A HREF = "neigh_modify">neigh_modify</A> command which control when
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neighbor lists are built, based on atom movement via the "check yes"
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option.
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<P>The <I>skin</I> distance is also used to determine how often atoms migrate
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to new processors if the <I>check</I> option of the
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<A HREF = "neigh_modify">neigh_modify</A> command is set to <I>yes</I>. Atoms are
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migrated (communicated) to new processors on the same timestep that
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neighbor lists are re-built.
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</P>
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<P>The <I>style</I> value selects what algorithm is used to build the list.
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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
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[Description:]
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This command sets parameters that affect the building of pairwise
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neighbor lists. 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. The default value for {skin} depends on
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the choice of units for the simulation; see the default values below.
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neighbor lists. All atom pairs within a neighbor cutoff distance
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equal to the their force cutoff plus the {skin} distance are stored in
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the list. Typically, the larger the skin distance, the less often
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neighbor lists need to be built, but more pairs must be checked for
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possible force interactions every timestep. The default value for
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{skin} depends on the choice of units for the simulation; see the
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default values below.
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Even if pairwise neighbor lists are not used in a simulation (e.g. a
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pair potential is not defined), the skin distance may still determine
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how often atoms migrate to new processors due to atom motion and
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should thus be set appropriately. This is because atoms migrate on
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the same timestep that neighbor lists are built. See the various
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settings of the "neigh_modify"_neigh_modify command which control when
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neighbor lists are built, based on atom movement via the "check yes"
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option.
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The {skin} distance is also used to determine how often atoms migrate
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to new processors if the {check} option of the
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"neigh_modify"_neigh_modify command is set to {yes}. Atoms are
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migrated (communicated) to new processors on the same timestep that
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neighbor lists are re-built.
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The {style} value selects what algorithm is used to build the list.
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The {bin} style creates the list by binning which is an operation that
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