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dftbplus / skprogs

Basic programs for generating Slater-Koster files for the DFTB-method
GNU Lesser General Public License v3.0
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Revise sktwocnt codebase #20

Closed vanderhe closed 2 years ago

vanderhe commented 2 years ago

Fixes unwanted formatting introduced by PR #17. While I was familiarizing myself with the codebase, I slightly expanded the documentation of the modules/functions/variables for the purpose of my own understanding; it is also included in the PR.

vanderhe commented 2 years ago

Thanks for the feedback, I applied your suggestions (but probably not at every point of the codebase).