pymatgen

Description

Python Materials Genomics is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes.

More information

• Homepage: https://pypi.python.org/pypi/pymatgen

Included extensions

monty-2021.3.3, numpy-1.20.1, palettable-3.3.0, pymatgen-2022.0.4, ruamel.yaml-0.16.13, ruamel.yaml.clib-0.2.2, uncertainties-3.1.5

Availability

Module	NIC5	Hercules2	Dragon2	Lemaitre3	Dragon1
pymatgen/2022.0.4-foss-2020b		✓		✓