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improper_zero.html
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Sat, Sep 14, 23:56
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Mon, Sep 16, 23:56 (2 d)
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rLAMMPS lammps
improper_zero.html
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<HTML>
<CENTER><A
HREF =
"http://lammps.sandia.gov"
>
LAMMPS WWW Site
</A>
-
<A
HREF =
"Manual.html"
>
LAMMPS Documentation
</A>
-
<A
HREF =
"Section_commands.html#comm"
>
LAMMPS Commands
</A>
</CENTER>
<HR>
<H3>
improper_style zero command
</H3>
<P><B>
Syntax:
</B>
</P>
<PRE>
improper_style zero
</PRE>
<P><B>
Examples:
</B>
</P>
<PRE>
improper_style zero
improper_coeff *
</PRE>
<P><B>
Description:
</B>
</P>
<P>
Using an improper style of zero means improper forces and energies are
not computed, but the geometry of improper quadruplets is still
accessible to other commands.
</P>
<P>
As an example, the
<A
HREF =
"compute_improper_local.html"
>
compute
improper/local
</A>
command can be used to
compute the chi values for the list of quadruplets of improper atoms
listed in the data file read by the
<A
HREF =
"read_data.html"
>
read_data
</A>
command. If no improper style is defined, this command cannot be
used.
</P>
<P>
Note that the
<A
HREF =
"improper_coeff.html"
>
improper_coeff
</A>
command must be
used for all improper types, though no additional values are
specified.
</P>
<P><B>
Restrictions:
</B>
none
</P>
<P><B>
Related commands:
</B>
none
</P>
<P><A
HREF =
"improper_none.html"
>
improper_style none
</A>
</P>
<P><B>
Default:
</B>
none
</P>
<!-- PAGE BREAK -->
</HTML>
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