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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11122 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2013-12-17 15:12:58 +00:00
parent 01abb902f1
commit c8ea979513
4 changed files with 104 additions and 15 deletions
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11
doc/read_data.html
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@ -103,6 +103,9 @@ is different than the default.
<LI><I>dihedral types</I> = # of dihedral types in system
<LI><I>improper types</I> = # of improper types in system
<LI><I>extra bond per atom</I> = leave space for this many new bonds per atom
<LI><I>extra angle per atom</I> = leave space for this many new angles per atom
<LI><I>extra dihedral per atom</I> = leave space for this many new dihedrals per atom
<LI><I>extra improper per atom</I> = leave space for this many new impropers per atom
<LI><I>ellipsoids</I> = # of ellipsoids in system
<LI><I>lines</I> = # of line segments in system
<LI><I>triangles</I> = # of triangles in system
@ -178,10 +181,12 @@ command). When using "shrink-wrap" boundary conditions (see the
a parallel simulation to lose atoms the first time that LAMMPS
shrink-wraps the box around the atoms.
</P>
<P>The "extra bond per atom" setting should be used if new bonds will be
added to the system when a simulation runs, e.g. by using the <A HREF = "fix_bond_create.html">fix
<P>The "extra bond per atom" setting (angle, dihedral, improper) should
be used if new bonds (angles, dihedrals, impropers) will be added to
the system when a simulation runs, e.g. by using the <A HREF = "fix_bond_create.html">fix
bond/create</A> command. This will pre-allocate
space in LAMMPS data structures for storing the new bonds.
space in LAMMPS data structures for storing the new bonds (angles,
dihedrals, impropers).
</P>
<P>The "ellipsoids" and "lines" and "triangles" and "bodies" settings are
only used with <A HREF = "atom_style.html">atom_style ellipsoid or line or tri or