dftbplus / skprogs

Basic programs for generating Slater-Koster files for the DFTB-method
GNU Lesser General Public License v3.0
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Adapt style and structure of codebase #3

Closed vanderhe closed 2 years ago

vanderhe commented 2 years ago

The code style and general structure of skprogs seems to be a bit outdated. This PR is intended to restructure and revise modules, where necessary:

Missing (I will leave this to future pull requests): :negative_squared_cross_mark: sktwocnt :negative_squared_cross_mark: slateratom

It might also be worth integrating the fypp preprocessor (?), since otherwise files like taggedout.f90 remain a mess.