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第七章分子动力学和 Monte Carlo模拟 · D. 解牛顿运动方程,计算短时间内(Time Step)粒子的新位置 E. 计算粒子新的速度和加速度 F. 重复C~E直至体系达到平衡。体系平衡后,等间隔保存原子的坐
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