Automated Ab-Initio Materials Modeling and Data Analysis Toolkit: Python library for pre-, post-processing and data management of ab-initio high-throughput workflows for computational materials science.

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Project description

aim2dat: Automated Ab-Initio Materials Modeling and Data Analysis Toolkit

Python library for pre-, post-processing and data management of ab-initio high-throughput workflows for computational materials science.

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0.1.0

Mar 6, 2024

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