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Added code snippets for Grüneisen, QHA and EOS wfs documentation #1130

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Merged
merged 33 commits into from
Feb 24, 2025

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QuantumChemist
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Summary

Added a few code snippets for the Grüneisen, QHA and EOS workflows and fixed some small issues like typos or docstrings

QuantumChemist and others added 30 commits March 1, 2024 16:46
Drafting the tutorial text.
Noting some idea
merging MP/main with my main
Co-authored-by: J. George <JaGeo@users.noreply.github.com>
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I don't know why those old commits are showing up as well 👀

@JaGeo JaGeo enabled auto-merge (squash) February 24, 2025 16:12
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JaGeo commented Feb 24, 2025

Thank you @QuantumChemist ! I will merge as soon as the tests pass.

@JaGeo JaGeo merged commit e4b9d39 into materialsproject:main Feb 24, 2025
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esoteric-ephemera pushed a commit to esoteric-ephemera/atomate2 that referenced this pull request Apr 3, 2025
…erialsproject#1130)

* Create high_level_overview.md

Drafting the tutorial text.

* added Job and Flow makers section to the tutorial

* added Job and Flow makers section to the tutorial

* changed the style of the tutorial

* structure the text better

* Added todo

Noting some idea

* added the section for InputSet and Builder

* adding job maker @job decorator explanation

* Update key_concepts_overview.md

* removing unnecessary line

* remove unnecessary lines

* added section for taskdocs

* fixing typo

* fixing typo

* Noting some idea

* revised the tutorial, fixed tpos etc.

* minor changes

* minor changes

* Auto-update pre-commit hooks

* Update docs/user/key_concepts_overview.md

Co-authored-by: J. George <JaGeo@users.noreply.github.com>

* fix small things

* fix docstring

* added example code snippets

---------

Co-authored-by: QuantumChemist <QuantumChemist@users.noreply.github.com>
Co-authored-by: J. George <JaGeo@users.noreply.github.com>
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2 participants