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molecular dynamics integration method
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molecular dynamics integration method
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理学
计算与理论化学
释
molecular dynamics integration method
分子动力学积分方法
将时间离散成长度为的等份,根据在任意时刻时系统内各物理量的数值及其关于时间的导数关系,推导出系统在时刻的状态,继而重现系统在整个模拟时间内演化过程的计算方法。
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