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rLAMMPS lammps
bond_style_morse.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 morse command
</H3>
<P><B>Syntax:</B>
</P>
<PRE>bond_style morse
</PRE>
<P><B>Examples:</B>
</P>
<PRE>bond_style morse
bond_coeff 5 1.0 2.0 1.2
</PRE>
<P><B>Description:</B>
</P>
<P>The <I>morse</I> bond style uses the potential
</P>
<CENTER><IMG SRC = "Eqs/bond_morse.jpg">
</CENTER>
<P>where r0 is the equilibrium bond distance, alpha is a stiffness
parameter, and D determines the depth of the potential well.
</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>D (energy)
<LI>alpha (inverse distance)
<LI>r0 (distance)
</UL>
<P><B>Restrictions:</B> none
</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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