Python Materials Genomics (pymatgen) is a robust materials analysis code that defines classes for structures and molecules with support for many electronic structure codes. It powers the Materials Project.
Role in this project:
Back-end Developer Contributions:5 commits, 1 PR, 7 comments in 6 days
Contributions summary:Pezhman primarily focused on modifying the `pymatgen/io/lobster` module, specifically the `outputs.py` file, indicating expertise in processing Lobster output files. Their contributions involved fixing parsing issues, ensuring backward compatibility with older Lobster versions, and updating related tests. These changes likely improved the reliability and maintainability of the code within the materials science context of the project.
pymatgenpythonsciencematerials-sciencematerials-informatics
Collection of AiiDA WorkChains Developed in CATMAT project
Contributions:1 release, 153 commits, 2 PRs in 2 years 1 month
aiida