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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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Upgrade to 0.3.0
#22
Closed
polyluxus
closed
5 years ago
polyluxus
commented
5 years ago
New features:
SLURM support
crest prepare script
various bugfixes
New features: