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SNIP.md

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Snipping Utility

The AWK script snip.awk is provided to convert Gaussian .out files into .snip files. These "snips" are contain only the geometry, energies, and frequencies, but retain enough of the Gaussian format for PyQuiver to read them. This feature is useful if you have many files and want to "compress" them to save room.

To convert a collection of .out files to their corresponding .snip files:

awk -f snip.awk *.out

Note that this will overwrite any existing snips with the same name without warning. (awk is a standard scripting langauge available on any platform.)