成键,是指当两个原子间的距离小于或等于双体分布函数第一谷所确定的最近邻距离时,则称这两个原子成键。
Two atoms are said to be near-neighbors if they are within a specified cutoff distance of each other.
成键,是指当两个原子间的距离小于或等于双体分布函数第一谷所确定的最近邻距离时,则称这两个原子成键。
Two atoms are said to be near-neighbors if they are within a specified cutoff distance of each other.
应用推荐