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 1,609 (last one 2 days ago)

Stargazers 106 (2 this week)

Watchers 15 (0 this week)

Forks 26

License mit

Ranking

RepositoryStats indexes 528,822 repositories, of these SMTG-Bham/doped is ranked #259,795 (51st percentile) for total stargazers, and #141,709 for total watchers. Github reports the primary language for this repository as Python, for repositories using this language it is ranked #46,632/101,959.

Other Information

SMTG-Bham/doped has 1 open pull request on Github, 40 pull requests have been merged over the lifetime of the repository.

Github issues are enabled, there is 1 open issue and 27 closed issues.

There have been 24 releases, the latest one was published on 2024-06-11 (2 days ago) with the name 2.4.6.

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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1,482 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: 2024-06-12 @ 03:36am, id: 265216879 / R_kgDOD87jbw