forked from lijiext/lammps
60 lines
1.5 KiB
HTML
60 lines
1.5 KiB
HTML
<HTML>
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<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>
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</CENTER>
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<HR>
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<H3>bond_style nonlinear command
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</H3>
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<P><B>Syntax:</B>
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</P>
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<PRE>bond_style nonlinear
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</PRE>
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<P><B>Examples:</B>
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</P>
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<PRE>bond_style nonlinear
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bond_coeff 2 100.0 1.1 1.4
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</PRE>
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<P><B>Description:</B>
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</P>
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<P>The <I>nonlinear</I> bond style uses the potential
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</P>
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<CENTER><IMG SRC = "Eqs/bond_nonlinear.jpg">
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</CENTER>
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<P>to define an anharmonic spring <A HREF = "#Rector">(Rector)</A> of equilibrium
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length r0 and maximum extension lamda.
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</P>
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<P>The following coefficients must be defined for each bond type via the
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<A HREF = "bond_coeff.html">bond_coeff</A> command as in the example above, or in
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the data file or restart files read by the <A HREF = "read_data.html">read_data</A>
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or <A HREF = "read_restart.html">read_restart</A> commands:
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</P>
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<UL><LI>epsilon (energy)
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<LI>r0 (distance)
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<LI>lamda (distance)
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</UL>
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<P><B>Restrictions:</B>
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</P>
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<P>This bond style can only be used if LAMMPS was built with the
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"molecular" package (which it is by default). See the <A HREF = "Section_start.html#2_3">Making
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LAMMPS</A> section for more info on packages.
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</P>
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<P><B>Related commands:</B>
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</P>
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<P><A HREF = "bond_coeff.html">bond_coeff</A>, <A HREF = "delete_bonds.html">delete_bonds</A>
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</P>
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<P><B>Default:</B> none
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</P>
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<HR>
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<A NAME = "Rector"></A>
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<P><B>(Rector)</B> Rector, Van Swol, Henderson, Molecular Physics, 82, 1009 (1994).
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</P>
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</HTML>
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