forked from lijiext/lammps
58 lines
1.4 KiB
HTML
58 lines
1.4 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>dihedral_style fourier 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 fourier
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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 fourier
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dihedral_coeff 3 -0.846200 3 0 7.578800 1 0 0.138000 2 -180
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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>fourier</I> dihedral style uses the potential:
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</P>
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<CENTER><IMG SRC = "Eqs/dihedral_fourier.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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<P>m (integer >=1)
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K1 (energy)
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n1 (integer >= 0)
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d1 (integer value of degrees)
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....
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Km (energy)
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nm (integer >= 0)
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dm (integer value of degrees)
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</P>
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<HR>
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<P><B>Restrictions:</B>
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</P>
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<P>This angle style can only be used if LAMMPS was built with the
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USER_MISC package. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A>
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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 = "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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