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djl315

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[求助] 互不固溶体系Mo-Ag势函数

我根据文献(Formation and Structural Anomaly of the Metastable Phases in an Immiscible Ag-Mo System Studied by Ion Beam Mixing and Molecular Dynamics Simulation,J. Phys. Chem. B 2006, 110, 595-606)中的参数和函数表达式用c++编译生成Mo-Ag的FS势函数,运算时出现INF和NAN,但是我用相同的in(根据文献建立固溶体模型)调用Mo-Cu的势函数(测试in)时就不出现nan,请问各位这可能是什么原因造成的?应该怎样修改?万分感谢!

互不固溶体系Mo-Ag势函数
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