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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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mistakenly writes to stdout #19

Closed polyluxus closed 5 years ago

polyluxus commented 5 years ago

If the output filename contains a dash, it'll write to stdout. The following regex is to problem:

https://github.com/polyluxus/runxtb.bash/blob/722291fb097e60a190cad7094bc3a460d051dd50/runxtb.sh#L823

The pattern should be ^[[:space:]]*(-|[Ss][Tt][Dd][Oo][Uu][Tt])[[:space:]]*$.

polyluxus commented 5 years ago

https://github.com/polyluxus/runxtb.bash/blob/41f960db323ccdb333dde95944f6c262d3b205ed/runxtb.sh#L819