Lucy Whalley

Hello @cai-xiaomeng, I haven't seen the format of the output from BandUp, but I expect not (unless BandUp outputs files in the form of an OUTCAR or one of the...

Hi @cai-xiaomeng - I've created a new issue for this as your question is not related to an effmass interface with pymatgen - the issue is here: #52

Hi @LittleAprilFool and @ggeorg02, Thanks for agreeing to review and test ChooChoo. I suspect that Github has updated its interface and default settings since I submitted this for review 6...

Hi @LittleAprilFool and @ggeorg02, As suspected the problems were related to update of the Github defaults, including permissions (https://github.blog/changelog/2023-02-02-github-actions-updating-the-default-github_token-permissions-to-read-only/). I've made a few commits to the choochoo-template repository which should...

Hello @LittleAprilFool, @ggeorg02 and @ttimbers, Apologies for my testing to take longer than expected - I have been struggling to balance this with the start of a new academic year...

Hi @ttimbers, just checking in on the review; is there anything I can do to help move along?

Hello, @ttimbers - perhaps @ppxasjsm is free to review this? In the pre-review they indicated they might be available for this.

Hello, there is not at the moment - it only reads in vasp output. The vasp output is parsed in the [`Data` class of the `inputs` module](https://github.com/lucydot/effmass/blob/f0bb559061ea9b3ad081913ac2eed37b11c42786/effmass/inputs.py#L66), so extending for...

@grayfaraday, this is just to flag up that I am working on this request over at Issue #24 where I am writing an interface with the ASE bandstructure object. This...

@grayfaraday would it be possible to provide me with example bandstructure input/output files from Quantum Espresso? I don't use this software myself.