Karol M. Langner
Karol M. Langner
I kind of feel it would make sense to separate this into several issue by unit test type (single point, geoopt, etc.), but we should wait and see how far...
I think we've made some progress. I will review before v1.5.3 gets out and break up into smaller issues for the future.
Seems we didn't do all parsers, so pushing back to v1.5.4.
I already did the 2013 logfile in the recent pull request. I put the old logfile in regressions.
We could use aug-cc-pCVQZ, although the smaller version is more likely to be available in all programs.
I actually ran into this when trying to do `python regressions.py` from the test directory, because it contains an `io` directory and numpy wants to import one. Presumably we have...
The correct link to methods in our docs: http://cclib.github.io/methods.html I think the work to be done here falls into two categories: 1. Reviewing methods we have in code and documenting...
@Chokerino That list of methods looks about right - it is not quite "documentation". But, as I mentioned above, what I would really like to see is an idea for...
The workflow is a little convoluted, true, and that is because we've tried to automate the process as much as possible. Here is an overview: 1. The `attributes.py` script looks...
This is something that can go into `metadata` now.