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High-throughput Computational Modeling Toolkits (continue to update)


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. I will try to integrate all these scripts into a single package in the future. Click here to Download

* Warning: These scripts may have unknown bugs, use at your own risk.


 

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