@coordmagic
钟成 暂无简介
vcube - batch render cubes using vmd; MCubeGen - batch generate cubes using Multiwfn; MFigComp - compose multiple figs into one; tmwfn - read infor from multiple Gaussian logs and output table
分子坐标操作， 产生分子图，产生描述符，制作动力学的top文件
A batch of computational chemistry scripts efficiently completes tasks.
command line interface to basis set exchange
optimize or scan omege for range seperated hybrid funtionals in Gaussian
xbench 测试Gaussian速度 gmxbench 测试gromacs速度
plot 2D band structrue base on VASP calculations
Monitor Gaussian TS state search progress, and other calculation task (opt, relax scan, IRC...) Run in bash
