05-05 为MDAnalysis包增加计算间断氢键自相关函数功能 - Add the functionality to calculate intermittent hydrogen bond autocorrelation functions to the MDAnalysis package
12-20 如何使用python中的量子化学软件包(包括psi4和pyscf) - How to use quantum chemistry software packages in Python (including psi4 and pyscf)