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polyluxus / tools-for-g09.bash

Various bash scripts to aid the use of the quantum chemistry software package Gaussian 09.
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implement shortcut for testrt #19

Closed polyluxus closed 5 years ago

polyluxus commented 6 years ago

testrt is an utility to verify the route section: https://web.archive.org/web/20170106055146/http://www.gaussian.com:80/g_tech/g_ur/u_testrt.htm

could be quite useful as a means to check in other scripts

polyluxus commented 5 years ago

Since the repository is no longer maintained, I'm closing the issue, as it will not be worked on.

There is a script with this functionality in https://github.com/polyluxus/tools-for-g16.bash