SMTG-Bham / doped

doped is a Python software for the generation, pre-/post-processing and analysis of defect supercell calculations, implementing the defect simulation workflow in an efficient, reproducible, user-friendly yet powerful and fully-customisable manner.

Date Created 2020-05-19 (4 years ago)

Commits 2,163 (last one about a month ago)

Stargazers 168 (0 this week)

Watchers 13 (0 this week)

Forks 33

License mit

Ranking

RepositoryStats indexes 630,443 repositories, of these SMTG-Bham/doped is ranked #212,948 (66th percentile) for total stargazers, and #161,505 for total watchers. Github reports the primary language for this repository as Python, for repositories using this language it is ranked #39,054/128,655.

SMTG-Bham/doped is also tagged with popular topics, for these it's ranked: computational-chemistry (#39/109)

Other Information

SMTG-Bham/doped has Github issues enabled, there are 4 open issues and 54 closed issues.

There have been 26 releases, the latest one was published on 2025-01-24 (about a month ago) with the name 3.0.0.

Homepage URL: https://doped.readthedocs.io

All Topics

dft vasp doping defects pymatgen ab-initio fermi-level shakenbreak defect-levels point-defects semiconductors transition-levels defect-calculation defect-thermodynamics computational-chemistry defect-formation-energy computational-materials-science

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2,036 commits on the default branch (main) since jan '22

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The primary language is Python but there's also others...

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updated: 2025-03-21 @ 04:35am, id: 265216879 / R_kgDOD87jbw