项目作者: mtplr

项目描述 :
A simple Computational Chemistry script written in Python to calculate bond lengths, BLA value (Bond Length Alternation), center of masses (CoM), distances between center of masses and bond angles of the given molecules and bonds, starting from a standard .xyz geometry file.
高级语言: Python
项目地址: git://github.com/mtplr/blacomcalc.git
创建时间: 2020-12-01T21:14:29Z
项目社区:https://github.com/mtplr/blacomcalc

开源协议:MIT License

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