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.)