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52 lines
1.7 KiB
HTML
52 lines
1.7 KiB
HTML
<HTML>
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<CENTER><A HREF = "http://www.cs.sandia.gov/~sjplimp/pizza.html">Pizza.py WWW Site</A> - <A HREF = "Manual.html">Pizza.py Documentation</A> - <A HREF = "Section_tools.html">Pizza.py Tools</A>
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</CENTER>
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<HR>
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<H3>xyz tool
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</H3>
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<P><B>Purpose:</B>
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</P>
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<P>Convert LAMMPS snapshots to XYZ format.
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</P>
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<P><B>Description:</B>
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</P>
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<P>The xyz tool converts atom snapshots in a LAMMPS dump or data file to
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the XYZ format used by various visualization packages.
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</P>
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<P>The xyz constructor takes an object that stores atom snapshots
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(<A HREF = "dump.html">dump</A>, <A HREF = "data.html">data</A>) as its first argument. The atom
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snapshots must have "id", "type", "x", "y", and "z" defined; see the
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map() methods of those tools.
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</P>
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<P>The one(), many(), and single() methods convert specific snapshots to
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the XYZ format and write them out. Optionally, a file prefix for the
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XYZ output files can also be specified. A ".xyz" suffix will be
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appended to all output files.
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</P>
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<P><B>Usage:</B>
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</P>
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<PRE>x = xyz(d) d = object containing atom coords (dump, data)
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</PRE>
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<PRE>x.one() write all snapshots to tmp.xyz
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x.one("new") write all snapshots to new.xyz
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x.many() write snapshots to tmp0000.xyz, tmp0001.xyz, etc
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x.many("new") write snapshots to new0000.xyz, new0001.xyz, etc
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x.single(N) write snapshot for timestep N to tmp.xyz
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x.single(N,"file") write snapshot for timestep N to file.xyz
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</PRE>
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<P><B>Related tools:</B>
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</P>
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<P><A HREF = "cfg.html">cfg</A>, <A HREF = "data.html">data</A>, <A HREF = "dump.html">dump</A>,
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<A HREF = "ensight.html">ensight</A>, <A HREF = "vtk.html">vtk</A>
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</P>
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<P><B>Prerequisites:</B> none
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</P>
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</HTML>
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