High-throughput Computational Modeling Toolkits (continue to update)

Xijun Wang

09/08/2022

A Trial Version by Xijun Wang

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.

Script