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angle_cosine_squared.html
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Tue, Dec 3, 14:28
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rLAMMPS lammps
angle_cosine_squared.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>
angle_style cosine/squared command
</H3>
<P><B>
Syntax:
</B>
</P>
<PRE>
angle_style cosine/squared
</PRE>
<P><B>
Examples:
</B>
</P>
<PRE>
angle_style cosine/squared
angle_coeff 2*4 75.0 100.0
</PRE>
<P><B>
Description:
</B>
</P>
<P>
The
<I>
cosine/squared
</I>
angle style uses the potential
</P>
<CENTER><IMG
SRC =
"Eqs/angle_cosine_squared.jpg"
>
</CENTER>
<P>
where theta0 is the equilibrium value of the angle, and K is a
prefactor. Note that the usual 1/2 factor is included in K.
</P>
<P>
The following coefficients must be defined for each angle type via the
<A
HREF =
"angle_coeff.html"
>
angle_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>
theta0 (degrees)
</UL>
<P>
Theta0 is specified in degrees, but LAMMPS converts it to radians
internally.
</P>
<P><B>
Restrictions:
</B>
none
</P>
<P><B>
Related commands:
</B>
</P>
<P><A
HREF =
"angle_coeff.html"
>
angle_coeff
</A>
</P>
<P><B>
Default:
</B>
none
</P>
</HTML>
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