12/23/2023 0 Comments Free instal Voxengo Bundle 2023.6OpenBabel with Python bindings ( ): Required for the usage of the adapters in pymatgen.io.babelio between pymatgen’s Molecule and OpenBabel’s OBMol.Note that the ASE package is compatible with Python 3.5+ at the moment. Atomistic Simulation Environment or ASE 3.6+: Required for the usage of the adapters in pymatgen.io.aseio between pymatgen’s core Structure object and the Atoms object used by ASE.Note that the VTK package is incompatible with Python 3.x at the moment. VTK with Python bindings 5.8+ ( ): For visualization of crystal structures using the pymatgen.vis package.sympy: For defect generation and analysis.Optional libraries that are required if you need certain features. ![]() Otherwise, these packages should be available on PyPI. All required dependencies should be automatically taken care of if you install pymatgen using easy_install or pip.
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