连续介质模型III：原子坐标系下分子表面网格参数的解析梯度计算
Continual Model of Medium III: Calculation of analytical gradients of parameters of surface meshes on the molecular surfaces over atomic coordinates
摘要：
求解溶剂化能的解析梯度（原子坐标上的导数）的问题可以分解为两个子任务：在第一阶段，我们搜索表面器件的参数（三个坐标，法向量和平方的三个分量）及其导数;在第二阶段，我们对能量进行微分，并通过特征矩阵的导数来表示它。但这些矩阵元的导数可以通过SES（Solvent Exclusive Surface）或SAS（Solvent Accessible Surface）表面网格参数的导数来表示。本文的目的是寻找这些分析梯度的参数的表面网格。
英文摘要：
The problem of finding of analytical gradients (derivatives over atoms coordinates) of solvation energies can be decomposed on two subtasks: at the first stage we search for parameters of the superficial devices (three coordinates, three components of normal vector and square) and their derivatives; at the second stage we differentiate energy and we express it through derivative of the matrixes featuring a problem. But these derivatives of matrix elements can be expressed through derivatives of parameters of surface meshes of SES (solvent excluded surface) or SAS (solvent accessible surface). The purpose of the given paper is finding of these analytical gradients of the parameters of the surface meshes.
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