Karol M. Langner
Karol M. Langner
(Moved from clib/cclib.github.io#9) Currently the script coverage.py considerd an attribute "covered" for a program when at least one unit test parses it. It would be better to tighten the requirement...
(Moved from cclib/cclib.github.io#2) Some of the methods were not documented on the SF wiki, and generally the [page with the examples for methods](cclib.github.io/methods.html) will need some attention. Maybe it would...
From #918: The first was for files including translation vectors (e.g. neoprene.out). Since the translation vector is registered as an extra atom with atomic number -2, this resulted in parsing...
Something wrong with documentation - On verison 1.7 currently - not being published to GH pages? - Coverage table not working on readthedocs (new generated version)
Top two candidates: - [probably preferred] gau2grid (https://github.com/dgasmith/gau2grid) - pyscf why not both?
I'm actually not sure if this is supported or not, but the README doesn't make it clear. Is it possible to set up the leaderboard so that it brings in...