There is no way to specify path to `skdef.hsd` file as an input to `collectspinw` script

dftbplus / skprogs

Basic programs for generating Slater-Koster files for the DFTB-method

GNU Lesser General Public License v3.0

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Closed samtsevich closed 5 months ago

samtsevich commented 9 months ago

Description of the bug

The problem appears when I run collectspinw with a manually set path to the .hsd file.

Expected behavior

Adding one more keyword to the input parsing procedure