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improper_cvff.html
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Mon, Dec 2, 16:07
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rLAMMPS lammps
improper_cvff.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 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
</PRE>
<P><B>
Description:
</B>
</P>
<P>
The
<I>
cvff
</I>
improper style uses the potential
</P>
<CENTER><IMG
SRC =
"Eqs/improper_cvff.jpg"
>
</CENTER>
<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>
</P>
<P><A
HREF =
"improper_coeff.html"
>
improper_coeff
</A>
</P>
<P><B>
Default:
</B>
none
</P>
</HTML>
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