polyluxus / runxtb.bash

wrapper for the extended tight-binding semi-empirical program package xtb
GNU General Public License v3.0
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crest.prepare could use an empty directory #30

Closed polyluxus closed 9 months ago

polyluxus commented 11 months ago

currently crest.prepare creates a directory if it can and exits if it finds one

let the script check if the dir is empty, if so, then use it, if not we still can fail

polyluxus commented 11 months ago

This isn't that straight forward in bash.

Workaround: