bond_morse.html
No OneTemporary
Actions

Subscribers

None

File Metadata

	<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>
	</P>
	<P>This bond style can only be used if LAMMPS was built with the
	"molecular" package (which it is by default). See the <A HREF = "Section_start.html#2_3">Making
	LAMMPS</A> section for more info on packages.
	</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>