People¶
Lead Developers¶
Quacc was originally designed and developed by Andrew S. Rosen.
Active Maintainers¶
The currently active maintainers are as follows:
Contributors¶
Additional contributions were made by the individuals listed here. Their contributions are summarized below.
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- @kumaranu: NewtonNet recipes.
- @nekkrad: ONETEP recipes.
- @rwexler: Defect utilities and EMT defect recipe.
- @samblau: Custom Q-Chem calculator, Q-Chem recipes.
- @tomdemeyere: Custom Espresso calculator, Espresso recipes.
- @ViktoriiaBaib: Initial testing of quacc.
- @zulissimeta: Dask support
- @yw-fang: VASP Non-SCF recipe
- @espottesmith: Some ORCA and Q-Chem workflows, mostly re: IRC
Inspiration¶
Quacc was originally inspired by Atomate2, developed by Alex Ganose.