今天

      花了一中午和半个下午，终于彻底把MOPAC输入文件格式搞清楚了。接下来打算复习下几何，以前好多都忘了……然后开始写迪卡尔坐标和内禀坐标的转换函数……
      下午烧玻璃管还是把手烫了~

      又：吃完饭又看了看，发现师兄给我的苯的.xyz文件里没有键连关系，用Chem3D打开的时候会出错。于是把.mop转成带有键连关系的.xyz文件，大概想了想，终于想出得到二面角的算法了~~哈哈，估计Chem3D也是这么转换的。

 

Author: armadillo

傻傻的笨蛋，什么都不懂的Small Kids，总是在幻想，轻轻地走来，静静地站在那里，默默地看着一切，细细地思考，然后悄悄地离开……永远都不愿意留在这里……You mustn't allow yourself to be chained to fate, to be ruled by your genes. Human beings can choose the kind of life that they want to live. What's important is that you choose life... and then live.

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