Karol M. Langner
Karol M. Langner
Latest numpydoc docs are at https://numpydoc.readthedocs.io/en/latest/
I thought about doing this while rereading he library. Started with actions in #1193. Vince, while doing that I did think that types are redundant in cases where annotation are...
What was the intended difference between `Player` and `MutablePlayer`?
Kind of part of #45.
I'd like to understand the details about this: - What do you mean by "project out translation and rotations"? - Does throwing out the first 6 modes make the vibrational...
OK, so this means simply removing the lowest frequency rotational and translational modes. Still, the vibrational analysis is not valid if the geometry is not a stationary point, right? That...
@berquist What do you think about this? Is there something specific action items we can identify here to make this concrete?
I like the complete solution most - let's coordinate after v1.5.3 is out.
@berquist Do you think it's worthwhile to rerun this in g16, with `freq` and add it to unit tests?