forked from lijiext/lammps
60 lines
1.9 KiB
HTML
60 lines
1.9 KiB
HTML
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<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 hybrid 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 hybrid style1 style2 ...
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</PRE>
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<UL><LI>style1,style2 = list of one or more bond styles
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</UL>
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<P><B>Examples:</B>
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</P>
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<PRE>bond_style hybrid harmonic fene
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bond_coeff 1 harmonic 80.0 1.2
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bond_coeff 2* fene 30.0 1.5 1.0 1.0
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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>hybrid</I> style enables the use of multiple bond styles in one
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simulation. A bond style is assigned to each bond type. For example,
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bonds in a polymer flow (of bond type 1) could be computed with a
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<I>fene</I> potential and bonds in the wall boundary (of bond type 2) could
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be computed with a <I>harmonic</I> potential. The assignment of bond type
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to style is made via the <A HREF = "bond_coeff.html">bond_coeff</A> command or in
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the data file.
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</P>
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<P>In the bond_coeff command, the first coefficient sets the bond style
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and the remaining coefficients are those appropriate to that style.
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In the example above, the 2 bond_coeff commands would set bonds of
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bond type 1 to be computed with a <I>harmonic</I> potential with
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coefficients 80.0, 1.2 for K, r0. All other bond types (2-N) would be
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computed with a <I>fene</I> potential with coefficients 30.0, 1.5, 1.0, 1.0
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for K, R0, epsilon, sigma.
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</P>
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<P><B>Restrictions:</B>
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</P>
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<P>Bond styles can only be set for atom styles that allow bonds to be
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defined.
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</P>
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<P>This bond style is part of the "molecular" package. It is only
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enabled if LAMMPS was built with that package. See the <A HREF = "Section_start.html#2_2">Making
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LAMMPS</A> section for more info.
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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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</HTML>
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