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polyluxus
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runxtb.bash
wrapper for the extended tight-binding semi-empirical program package xtb
GNU General Public License v3.0
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Patch 0.2.1
#21
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polyluxus
closed
5 years ago
polyluxus
commented
5 years ago
bugfixes #19 #20
post-processing #11
rename internal variables
clean code a bit (remove some messages)