lloyd.riggs at gmx.ch
Fri Mar 9 16:00:51 CET 2012
Is there a way to either supress the interactive portion of g_energy and print out everything listed, or pass it to something more automated? MY problem, I spent an hour or three trying to just write an automated four line shell or python script to extract all the terms listed based on index files.
The error comes as I can not pass a variable i once the interactive portion of the g_energy is invoked (I get error $i, i '$i', "$i", etc.. does not match a pattern or whatever as an error each time). Basically try getting a few dozen terms from an energy file, times 20 to 100 necessary runs...
Stephan Lloyd Watkins
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