lammps/doc/improper_style_cvff.html

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<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>
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<H3>improper_style cvff command
</H3>
<P><B>Syntax:</B>
</P>
<PRE>improper_style cvff
</PRE>
<P><B>Examples:</B>
</P>
<PRE>improper_style cvff
improper_coeff 1 80.0 -1 4
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<P><B>Description:</B>
</P>
<P>The <I>cvff</I> improper style uses the potential
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<CENTER><IMG SRC = "Eqs/improper_cvff.jpg">
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<P>where phi is the Wilson out-of-plane angle.
</P>
<P>The following coefficients must be defined for each improper type via the
<A HREF = "improper_coeff.html">improper_coeff</A> command as in the example above, or in
the data file or restart files read by the <A HREF = "read_data.html">read_data</A>
or <A HREF = "read_restart.html">read_restart</A> commands:
</P>
<UL><LI>K (energy)
<LI>d (+1 or -1)
<LI>n (0,1,2,3,4,6)
</UL>
<P><B>Restrictions:</B> none
</P>
<P><B>Related commands:</B>
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<P><A HREF = "improper_coeff.html">improper_coeff</A>
</P>
<P><B>Default:</B> none
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