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Submitted By: Geoff Hutchison (ghutchis)
Assigned to: Nobody/Anonymous (nobody)
Summary: Assigning Keywords / Program Options to QM Input
One very useful feature for the various QM input formats would be to
specify "keywords" or program options to the input file. For example,
specifying that this input is for a geometry optimization or frequency
The advantage is that users could create input files in one batch with a
given set of program options.
I suggest that options could either come from a command-line flag (e.g, -
xk "keywords") or optionally from a command-line flag that reads in a