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polyluxus / runxtb.bash

wrapper for the extended tight-binding semi-empirical program package xtb
GNU General Public License v3.0
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adapt submit script for bsub #8

Closed polyluxus closed 6 years ago

polyluxus commented 6 years ago

The PBS script is nice, but extension for RWTH is necessary. They use BSUB directives.

polyluxus commented 6 years ago

As far as I can tell, it works.