elcorto / pwtools

pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LAMMPS. It is almost, but not quite, entirely unlike ASE, with some tools extending numpy/scipy. It has a set of powerful parsers and data types for storing calculation data.

Date Created 2016-02-05 (9 years ago)
Commits 1,393 (last one 6 months ago)
Stargazers 65 (0 this week)
Watchers 8 (0 this week)
Forks 13
License bsd-3-clause
Ranking

RepositoryStats indexes 617,630 repositories, of these elcorto/pwtools is ranked #404,271 (35th percentile) for total stargazers, and #248,958 for total watchers. Github reports the primary language for this repository as Python, for repositories using this language it is ranked #77,628/124,984.

elcorto/pwtools is also tagged with popular topics, for these it's ranked: python (#16,656/22979),  sqlite (#678/913),  molecular-dynamics (#85/122)

Other Information

elcorto/pwtools has Github issues enabled, there are 2 open issues and 7 closed issues.

There have been 3 releases, the latest one was published on 2024-07-29 (6 months ago)

Homepage URL: https://elcorto.github.io/pwtools

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Recent Commit History

93 commits on the default branch (master) since jan '22

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Issue History

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Languages

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

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updated: 2025-01-28 @ 09:19pm, id: 51149109 / R_kgDOAwx5NQ