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PLAMS

The Python Library for Automating Molecular Simulation (PLAMS) is powerful and flexible Python tool interfaced to the Amsterdam Modeling Suite engines ADF, BAND, DFTB, MOPAC, ReaxFF, and UFF.

homepage: https://www.scm.com/product/plams

version toolchain
1.5.1 intel/2022a
2025.105 gfbf/2025a

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