Alex Ganose

Results 172 comments of Alex Ganose

This is controllable by the ``--no-symmetry-labels`` option. Based on the discussion in #6, it seems like a good idea to have an option to automatically adjust the verbosity parameters based...

Actually, I don't think the projections should sum to the total DOS. The total DOS is calculated using the eigenvalues, whereas the projections depend on the radius of the projector...

I also am seeing this issue. The doctrees produced by Sphinx are pickled. What is the best way of getting the doctree to you? I can generate the XML or...

I made a repo with a minimal working example. This has the source code used to generate the docs, the doctrees, and the built html and markdown. https://github.com/utf/sphinx-automodule-example I also...

Thanks for developing this, I've been looking for a project like this for a long time. The markdown features that I would be most interest in are, "topic", "option_list", "raw"...

You need to edit the makeStr.py file and add the following at the top: #! /usr/bin/env python This could probably be avoided by modifying pymatgen itself. But I tested this...

I have never heard of carrier concentrations that low before. For GaAs you typically see concentrations from 1e13 and above. Could there be a mistake with your units? The concentration...

Thanks for raising this. We should definitely merge the atomate2 and emmet calc_types. Would you be able to look into that?

This looks like a great feature! Personally, I would be very happy to accept a PR. Going on what @ajjackson said, I think allowing multiple options to `--filename` and `--codes`...

Sure, submit a PR. Happy for you to remove them from the config.