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Rewrite and document core DFT functionality #60

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Merged
prehner merged 11 commits into from
Nov 11, 2022
Merged

Rewrite and document core DFT functionality #60

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bcfe193
Rewrite and document core DFT functionality
prehner Oct 6, 2022
6659821
remove print and unnecessary ifs
prehner Oct 6, 2022
e5b453f
make specification optional for planar interfaces
prehner Oct 6, 2022
e19be62
include DFT guide in the documentation
prehner Oct 6, 2022
31ae53c
include DFT theory in documentation
prehner Oct 7, 2022
c232b56
add section on functional derivatives
prehner Oct 8, 2022
68a373b
use Arc in BulkConvolver
prehner Oct 18, 2022
1be7bdd
udpate theory guide toc
prehner Nov 10, 2022
4433cbe
remove stub
prehner Nov 10, 2022
519405b
Add changelog entry
prehner Nov 10, 2022
a080fa4
incorporate comments from review
prehner Nov 11, 2022
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Add changelog entry
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@prehner
prehner committed Nov 10, 2022
commit 519405bac712ed953774d78a2981044857f3bb76
1 change: 1 addition & 0 deletions feos-dft/CHANGELOG.md
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Expand Up @@ -8,6 +8,7 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0
### Changed
- Added `Send` and `Sync` as supertraits to `HelmholtzEnergyFunctional` and all related traits. [#57](https://github.com/feos-org/feos/pull/57)
- Renamed the `3d_dft` feature to `rayon` in accordance to the other feos crates. [#62](https://github.com/feos-org/feos/pull/62)
- internally rewrote the implementation of the Euler-Lagrange equation to use a bulk density instead of the chemical potential as variable. [#60](https://github.com/feos-org/feos/pull/60)

## [0.3.2] - 2022-10-13
### Changed
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