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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2657 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2009-03-17 15:41:12 +00:00
parent 5dc6a9e054
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8 changed files with 50 additions and 23 deletions
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doc/group.html
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@ -17,9 +17,10 @@
</PRE>
<UL><LI>ID = user-defined name of the group
<LI>style = <I>region</I> or <I>type</I> or <I>id</I> or <I>molecule</I> or <I>subtract</I> or <I>union</I> or <I>intersect</I>
<LI>style = <I>delete</I> or <I>region</I> or <I>type</I> or <I>id</I> or <I>molecule</I> or <I>subtract</I> or <I>union</I> or <I>intersect</I>
<PRE> <I>region</I> args = region-ID
<PRE> <I>delete</I> = no args
<I>region</I> args = region-ID
<I>type</I> or <I>id</I> or <I>molecule</I>
args = one or more atom types, atom IDs, or molecule IDs
args = logical value
@ -43,17 +44,27 @@ group sub id <= 150
group polyA molecule <> 50 250
group boundary subtract all a2 a3
group boundary union lower upper
group boundary intersect upper flow
group boundary intersect upper flow
group boundary delete
</PRE>
<P><B>Description:</B>
</P>
<P>Identify a collection of atoms as belonging to a group. The group ID
can then be used in other commands such as fix, velocity, dump, or
temperature to act on the atoms together.
can then be used in other commands such as <A HREF = "fix.html">fix</A>,
<A HREF = "compute.html">compute</A>, <A HREF = "dump.html">dump</A>, or <A HREF = "velocity.html">velocity</A>
to act on those atoms together.
</P>
<P>If the group ID already exists, the group command adds the specified
atoms to the group.
</P>
<P>The <I>delete</I> style removes the named group and un-assigns all atoms
that were assigned to that group. Since there is a restriction (see
below) that no more than 32 groups can be defined at any time, the
<I>delete</I> style allows you to remove groups that are no longer needed,
so that more can be specified. You cannot delete a group if it has
been used to define a current <A HREF = "fix.html">fix</A> or <A HREF = "compute.html">compute</A>
or <A HREF = "dump.html">dump</A>.
</P>
<P>The <I>region</I> style puts all atoms in the region volume into the group.
Note that this is a static one-time assignment. The atoms remain
assigned (or not assigned) to the group even in they later move out of
@ -85,11 +96,12 @@ as arguments. Atoms that belong to every one of the listed groups are
added to the specified group.
</P>
<P>A group with the ID <I>all</I> is predefined. All atoms belong to this
group.
group. This group cannot be deleted.
</P>
<P><B>Restrictions:</B>
</P>
<P>There can be no more than 32 defined groups, including "all".
<P>There can be no more than 32 groups defined at one time, including
"all".
</P>
<P><B>Related commands:</B>
</P>