Christina Ertural
Christina Ertural
Hey everyone :) @utf, as we agreed, I will work on an atomate2 tutorial for "A high-level overview of the key concepts in atomate2: job/flow makers, input sets, task documents,...
Did you check that relax 1 really finished and generated the .gz files?
For now, I have simply drafted a markdown file.
Hey Alex @utf If you can spare some time and don't mind, could you have a look at the first section I added, if this is what you expect the...
> Hi @QuantumChemist, thanks for making a start on this. > > If possible, I would aim to make the tutorial more pedagogical with more emphasis on what the concepts...
Hi @utf , I have now adjusted the tutorial text and tried to make it more pedagogical. And I'm very sorry, I was misunderstanding the "high-level overview" part a little...
> Hi @QuantumChemist, this looks perfect. Thank you. Great! Then I will continue the rest of the tutorial like that! Thx!
Hey @utf :) I would say I'm finished with writing the tutorial. Could you give me some feedback? Also, I hope it's okay that I added the tutorial text to...
@utf Thank you as well! 😃
Hey @utf , I realized I forgot to link this tutorial somewhere, so so far it's only accessible if one knows the full link https://materialsproject.github.io/atomate2/user/key_concepts_overview.html So I wonder: Shall I...