Karol M. Langner
Karol M. Langner
11. Explain the mechanics of making new releases.
12. Explain what the goals and non-goals are, in particular that we're not concerned with correctness of data. The goal is to consistently parse data, and not vouch for it.
13. Add expectations about using the logger as per #237.
14. Stick to NumPy style docstrings, or some other format we want, as mentioned in #694.
Not sure what this was about... need to dig into the project notes, probably. Pushing back.
Actually, will try to get this done for v1.5.4 so that we can close the GSOC 2018 project.
Anyone have an idea if there is an action item here? Will close before releasing v1.6.1 if not one responds.
Oh. I have OpenMolcas compiled and working. So it seems it's a matter of finding the right input/output files for that malformatted output. I'll review any older threads I can...
OK, pushing back.
Is this for an excited state transition? Could you provide us with the logfile as an example?