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5.LAMMPS简介 建模仿真/计算模拟科学的作用 通过数值计算和模拟技术将理论科学和实验科学紧密联系在一起 掌握分子模拟技术的必要条件 多尺度建模仿真 分子动力学的基本概念 初始化条件-模拟盒子 •模拟盒子•边界条件•初始化条件 势函数 •分子内相互作用 •分子间相互作用 金属体系的力场 EAM(EmbeddedAtomModel...