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Rewrite and document core DFT functionality#60

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prehner merged 11 commits intomainfrom
dft_revision
Nov 11, 2022
Merged

Rewrite and document core DFT functionality#60
prehner merged 11 commits intomainfrom
dft_revision

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@prehner prehner commented Oct 6, 2022

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@prehner prehner marked this pull request as draft October 7, 2022 11:05
@prehner prehner force-pushed the dft_revision branch 2 times, most recently from 69e7f5f to e39a0ec Compare October 18, 2022 11:08
@prehner prehner marked this pull request as ready for review November 10, 2022 20:01
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prehner commented Nov 10, 2022

grafik

This also adds the toc structure for the FeOs theory guide.

@prehner prehner requested a review from g-bauer November 10, 2022 20:04
@prehner prehner mentioned this pull request Nov 10, 2022
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@prehner prehner added the DFT DFT related feature or issue label Nov 11, 2022
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We should add amsmath to the MyST-parser configuration (in conf.py) which allows to use direct LaTeX Math. This allows for align and equation blocks (and other stuff) that we can use to introduce line breaks in long formulas.

Nitpick: use upright \mathrm{d}r in integrals? No strong feelings about this, though.

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