forked from lijiext/lammps
54 lines
1.4 KiB
HTML
54 lines
1.4 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>dihedral_style harmonic command
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</H3>
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<P><B>Syntax:</B>
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</P>
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<PRE>dihedral_style harmonic
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</PRE>
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<P><B>Examples:</B>
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</P>
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<PRE>dihedral_style harmonic
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dihedral_coeff 1 80.0 1 2
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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>harmonic</I> dihedral style uses the potential
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</P>
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<CENTER><IMG SRC = "Eqs/dihedral_harmonic.jpg">
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</CENTER>
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<P>The following coefficients must be defined for each dihedral type via the
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<A HREF = "dihedral_coeff.html">dihedral_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>K (energy)
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<LI>d (+1 or -1)
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<LI>n (integer >= 0)
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</UL>
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<P><B>Restrictions:</B>
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</P>
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<P>Dihedral styles can only be set for atom styles that allow dihedrals to be
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defined.
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</P>
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<P>This dihedral 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 = "dihedral_coeff.html">dihedral_coeff</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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