Program Moment of inertia
收藏doi.org2025-03-26 收录
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http://doi.org/10.17632/skj4999wr6.1
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The program calculates the moments of inertia of the molecules Ix, Iy and Iz relative to the x, y and z axes (the axis of rotation with the minimum moment of inertia is taken as the x axis, the y and z axes are perpendicular to it and to each other). The coordinates for the atoms from the XYZ file are used as data for the calculation.
本程序计算分子相对于x、y和z轴的惯性矩Ix、Iy和Iz(取惯性矩最小的旋转轴作为x轴,y轴和z轴相互垂直,并与x轴垂直)。计算所使用的数据来自XYZ文件中原子坐标。
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