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bond_style_harmonic.html
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Wed, Mar 26, 14:04
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Fri, Mar 28, 14:04 (2 d)
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rLAMMPS lammps
bond_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>
bond_style harmonic command
</H3>
<P><B>
Syntax:
</B>
</P>
<PRE>
bond_style harmonic
</PRE>
<P><B>
Examples:
</B>
</P>
<PRE>
bond_style harmonic
bond_coeff 5 80.0 1.2
</PRE>
<P><B>
Description:
</B>
</P>
<P>
The
<I>
harmonic
</I>
bond style uses the potential
</P>
<CENTER><IMG
SRC =
"Eqs/bond_harmonic.jpg"
>
</CENTER>
<P>
where r0 is the equilibrium bond distance. Note that the usual 1/2
factor is included in K.
</P>
<P>
The following coefficients must be defined for each bond type via the
<A
HREF =
"bond_coeff.html"
>
bond_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/distance^2)
<LI>
r0 (distance)
</UL>
<P><B>
Restrictions:
</B>
</P>
<P>
Bond styles can only be set for atom styles that allow bonds to be
defined.
</P>
<P>
This bond style is part of the "molecular" package. It is only
enabled if LAMMPS was built with that package. See the
<A
HREF =
"Section_start.html#2_2"
>
Making
LAMMPS
</A>
section for more info.
</P>
<P><B>
Related commands:
</B>
</P>
<P><A
HREF =
"bond_coeff.html"
>
bond_coeff
</A>
,
<A
HREF =
"delete_bonds.html"
>
delete_bonds
</A>
</P>
<P><B>
Default:
</B>
none
</P>
</HTML>
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