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HPC matters ::: Knowledge- & Technologytransfer
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Gpaw

Physics Simulation
GPAW is a density-functional theory (DFT) Python code based on the projector-augmented wave (PAW) method and the atomic simulation environment (ASE). It uses real-space uniform grids and multigrid methods or atom-centered basis-functions. (Source: https://github.com/easybuilders/easybuild-easyconfigs )

Locations and versions:

 TU Dresden  ZIB
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Major 1

    1.3.0  ZIB

    1.2.0  TU Dresden

Major 0

    Minor 0.11

      Patch 0.11.0

        0.11.0  TU Dresden

        0.11  ZIB