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Pymatgen also uses Github Actions for continuous integration, which ensures that every new code passes a comprehensive suite of unit tests. It is well documented. A fairly comprehensive documentation has been written to help you get to grips with it quickly. It is open. You are free to use...
pip install -U git+https://github.com/materialsproject/pymatgen The minimum Python version is 3.10. Some extra functionality (e.g., generation of POTCARs) does require additional setup (see thepymatgendocs). Change Log SeeGitHub releases,docs/CHANGES.mdorcommit historyin increasing order of ...
Pymatgen also uses Github Actions for continuous integration, which ensures that every new code passes a comprehensive suite of unit tests. It is well documented. A fairly comprehensive documentation has been written to help you get to grips with it quickly. It is open. You are free to use...
.github dev_scripts docs examples pymatgen alchemy analysis apps cli __init__.py feff_plot_cross_section.py feff_plot_dos.py get_environment.py pmg.py pmg_analyze.py pmg_config.py pmg_plot.py pmg_potcar.py pmg_structure.py command_line core electronic_structure entries ext io optimization...
Please report any bugs and issues at pymatgen's Github page. If you wish to be notified of pymatgen releases, you may become a member of pymatgen's Google Groups page.Why use pymatgen?There are many materials analysis codes out there, both commerical and free, but pymatgen offer ...
6Branches16Tags Folders and files Name Last commit message Last commit date Latest commit shyuep Test fixes. Mar 21, 2025 3613806·Mar 21, 2025 History 1,189 Commits .github More cleanup. Feb 18, 2025 docs Update dev docs Jul 16, 2024 ...
Please report any bugs and issues at pymatgen's Github page. If you wish to be notified of pymatgen releases, you may become a member of pymatgen's Google Groups page.Python 3.x supportWith effect from version 3.0, pymatgen now supports both Python 2.7 as well as Python 3.x. All...
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.github dev_scripts docs examples pymatgen alchemy analysis apps cli command_line core electronic_structure entries data MITCompatibility.yaml MP2020Compatibility.yaml MPCompatibility.yaml __init__.py calc_compounds.json.gz compatibility.py computed_entries.py correction_calculator.py entry_tools.py exp...