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sync#95

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benrich37 merged 2 commits intobenrich37:jdftxoutfile-vibrationsfrom
materialsproject:master
Jun 11, 2025
Merged

sync#95
benrich37 merged 2 commits intobenrich37:jdftxoutfile-vibrationsfrom
materialsproject:master

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dependabot bot and others added 2 commits June 10, 2025 07:04
Bumps [requests](https://github.com/psf/requests) from 2.32.3 to 2.32.4.
- [Release notes](https://github.com/psf/requests/releases)
- [Changelog](https://github.com/psf/requests/blob/main/HISTORY.md)
- [Commits](psf/requests@v2.32.3...v2.32.4)

---
updated-dependencies:
- dependency-name: requests
  dependency-version: 2.32.4
  dependency-type: direct:production
...

Signed-off-by: dependabot[bot] <support@github.com>
Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com>
* Filling out `JOutStructure.properties` for feeding to `frame_properties` for `Trajectory` in `JDFTXOutfileSlice.trajectory`

* unneccessary line

* better comments on joutstructure initialization order

* TODOs

* Adding missing kinetic_functional option

* Removing vestigial function

---------

Co-authored-by: Shyue Ping Ong <shyuep@users.noreply.github.com>
@benrich37 benrich37 merged commit 29e3bdc into benrich37:jdftxoutfile-vibrations Jun 11, 2025
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