This page contains source codes and scripts for pre/post-processing high-throughput computational modeling jobs with VASP 5+ and Gaussian 09/16. Some Machine learning scripts are also included. More information please refer to https://www.xwang.info/blogs/high-throughput-computational-modeling-toolkits
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This page contains source code and scripts for pre/post-processing high-throughput computational modeling jobs with VASP 5+ and Gaussian 09/16. Some Machine learning scripts are also included.
xwsci/Computational-Materials-Modeling
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This page contains source code and scripts for pre/post-processing high-throughput computational modeling jobs with VASP 5+ and Gaussian 09/16. Some Machine learning scripts are also included.
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