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Popular repositories

  1. pyEXP2ZPF pyEXP2ZPF Public

    Python

  2. prepare_espei_model_from_TDB prepare_espei_model_from_TDB Public

    To extract model json file for ESPEI/pycalphad based on the existing TDB file

    Python

  3. DFT2DFTjson2ESPEIjson DFT2DFTjson2ESPEIjson Public

    Thermochemical properties from DFT data to DFT json files to ESPEI json files

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  4. dfttk dfttk Public

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    Density functional theory workflows for finite temperature thermodynamics based on atomate workflows.

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