"split功能增加" #71
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"split功能增加" #71
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增加解离功能，实现方法是htmat split CONTCAR（含吸附分子和基底的文件） C-H-N-Si（分子的元素） Si（中心元素）
实现的内容是，分离基底和分子，识别分子的基团，将基团与分子解离，同时，让结合的原子方向均旋转至-z轴