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dihedral_style_harmonic.html
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Wed, Dec 11, 13:57
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rLAMMPS lammps
dihedral_style_harmonic.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>
dihedral_style harmonic command
</H3>
<P><B>
Syntax:
</B>
</P>
<PRE>
dihedral_style harmonic
</PRE>
<P><B>
Examples:
</B>
</P>
<PRE>
dihedral_style harmonic
dihedral_coeff 1 80.0 1 2
</PRE>
<P><B>
Description:
</B>
</P>
<P>
The
<I>
harmonic
</I>
dihedral style uses the potential
</P>
<CENTER><IMG
SRC =
"Eqs/dihedral_harmonic.jpg"
>
</CENTER>
<P>
The following coefficients must be defined for each dihedral type via the
<A
HREF =
"dihedral_coeff.html"
>
dihedral_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 (integer >= 0)
</UL>
<P><B>
Restrictions:
</B>
none
</P>
<P><B>
Related commands:
</B>
</P>
<P><A
HREF =
"dihedral_coeff.html"
>
dihedral_coeff
</A>
</P>
<P><B>
Default:
</B>
none
</P>
</HTML>
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