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61 lines
2.1 KiB
HTML
61 lines
2.1 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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<HR>
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<H3>cfg 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 AtomEye CFG 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 cfg tool converts atom snapshots in a LAMMPS dump or data file to
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the CFG format used by the <A HREF = "http://164.107.79.177/Archive/Graphics/A">AtomEye</A> visualization tool.
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</P>
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<P>The cfg 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 CFG format and write them out. Optionally, a file prefix for the
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CFG output files can also be specified. A ".cfg" suffix will be
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appended to all output files.
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</P>
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<P>If your atom snapshots are not sorted by atom ID (e.g. because they
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were written out by a parallel LAMMPS run), then you may want to sort
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them before converting them to CFG files with this tool. This can be
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done by "d = dump("tmp.dump"); d.sort()". This is because AtomEye
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does not use atom IDs directly but infers an ID by the order of atoms
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as they appear in the CFG file.
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</P>
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<P><B>Usage:</B>
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</P>
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<PRE>c = cfg(d) d = object containing atom coords (dump, data)
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</PRE>
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<PRE>c.one() write all snapshots to tmp.cfg
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c.one("new") write all snapshots to new.cfg
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c.many() write snapshots to tmp0000.cfg, tmp0001.cfg, etc
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c.many("new") write snapshots to new0000.cfg, new0001.cfg, etc
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c.single(N) write snapshot for timestep N to tmp.cfg
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c.single(N,"file") write snapshot for timestep N to file.cfg
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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 = "data.html">data</A>, <A HREF = "dump.html">dump</A>, <A HREF = "ensight.html">ensight</A>,
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<A HREF = "vtk.html">vtk</A>, <A HREF = "xyz.html">xyz</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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