forked from lijiext/lammps
54 lines
1.4 KiB
HTML
54 lines
1.4 KiB
HTML
<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#start_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>
|