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dftbplus / skprogs

Basic programs for generating Slater-Koster files for the DFTB-method
GNU Lesser General Public License v3.0
25 stars 19 forks source link

Fix description of collectwavecoeffs #82

Closed vanderhe closed 5 months ago

vanderhe commented 5 months ago

At the moment the description listed in the help page of the collectwavecoeffs script is wrong, i.e. referring to the skgen description.

vanderhe commented 5 months ago

Seems fine, but I wasn't able to work out why a local copy of get_parser_and_subparser_container is required (other than possibly different comments/strings)..

It seemed to be the established strategy that at least some scripts provide their own definition. Doesn't mean it's a good design per se...

bhourahine commented 5 months ago

Seems fine, but I wasn't able to work out why a local copy of get_parser_and_subparser_container is required (other than possibly different comments/strings)..

It seemed to be the established strategy that at least some scripts provide their own definition. Doesn't mean it's a good design per se...

OK, but at some point we should discuss the style guide for Python and, as with the pylint stuff in #80, work out something that will be stuck to.