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钟成/vmwfn

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

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钟成/coordmagic

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

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钟成/ztools

A batch of computational chemistry scripts efficiently completes tasks.

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钟成/bulkgraph

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钟成/autobse

command line interface to basis set exchange

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钟成/xwtune

optimize or scan omege for range seperated hybrid funtionals in Gaussian

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钟成/xbench

xbench 测试Gaussian速度 gmxbench 测试gromacs速度

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钟成/band2d

plot 2D band structrue base on VASP calculations

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钟成/tsmonitor

Monitor Gaussian TS state search progress, and other calculation task (opt, relax scan, IRC...) Run in bash