标题: Bash shell script to extract energies from IRC Gaussian calculation [打印本页] 作者Author: aitouna 时间: 2021-3-17 22:30 标题: Bash shell script to extract energies from IRC Gaussian calculation 本帖最后由 aitouna 于 2021-3-17 22:33 编辑
Hello, Dear All, How are you doing ?Recently, recently, i needed to extract the energy for each point of a couple IRC calculations, that's why i wrote a bash script that automate the process, it's the first script i succeeded to wrote, and i hope you could find it useful.