some toolkits for VASP
小侯飞氚用python2写了VASP定压优化脚本,我之前用python3重写成vaspeqstress.py,但是我不喜欢python加模块的模式,而且服务器上常常不好自己配置python,当然也可能是我想多了。总之我用bash重新写了vaspeqstress.sh,不需要任何多余的模块,并且这样也可以很方便的用于PBS作业管理系统。
This project forked from lxf-gzu/vasptools
some toolkits for VASP
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