forked from lijiext/lammps
83 lines
2.7 KiB
HTML
83 lines
2.7 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>angle_style cosine/delta command
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</H3>
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<H3>angle_style cosine/delta/omp command
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</H3>
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<P><B>Syntax:</B>
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</P>
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<PRE>angle_style cosine/delta
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</PRE>
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<P><B>Examples:</B>
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</P>
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<PRE>angle_style cosine/delta
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angle_coeff 2*4 75.0 100.0
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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>cosine/delta</I> angle style uses the potential
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</P>
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<CENTER><IMG SRC = "Eqs/angle_cosine_delta.jpg">
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</CENTER>
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<P>where theta0 is the equilibrium value of the angle, and K is a
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prefactor. Note that the usual 1/2 factor is included in K.
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</P>
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<P>The following coefficients must be defined for each angle type via the
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<A HREF = "angle_coeff.html">angle_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>theta0 (degrees)
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</UL>
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<P>Theta0 is specified in degrees, but LAMMPS converts it to radians
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internally.
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</P>
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<HR>
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<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
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the same as the corresponding style without the suffix. They have
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been optimized to run faster, depending on your available hardware, as
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discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the
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manual. The accelerated styles take the same arguments and should
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produce the same results, except for round-off and precision issues.
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</P>
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<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
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packages, respectively. They are only enabled if LAMMPS was built with
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those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A>
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section for more info.
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</P>
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<P>You can specify the accelerated styles explicitly in your input script
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by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line
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switch</A> when you invoke LAMMPS, or you can
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use the <A HREF = "suffix.html">suffix</A> command in your input script.
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</P>
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<P>See <A HREF = "Section_accelerate.html">Section_accelerate</A> of the manual for
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more instructions on how to use the accelerated styles effectively.
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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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MOLECULAR package (which it is by default). See the <A HREF = "Section_start.html#start_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 = "angle_coeff.html">angle_coeff</A>, <A HREF = "angle_cosine_squared.html">angle_style
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cosine/squared</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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