在解答关于“non-numeric atom coords - simulation unstable”的问题时,我们需要从分子模拟或计算物理学的角度来理解这一现象。以下是根据您提供的提示进行的详细解答: 1. 解释"non-numeric atom coords"的含义 "non-numeric atom coords"指的是在分子模拟或计算化学模型中,原子坐标(即原子在三维空间中的位置)被赋...
在挤压过程中出现Non-numeric atom coords - simulation unstable的错误。我试过调小时间步至0.01fs，...
ERROR on proc 0: Non-numeric atom coords - simulation unstable (../domain.cpp:518)。
我在使用lammps计算的时候，遇到ERROR on proc 0: Non-numeric atom coords - simulation unstable (....
ERROR on proc 0: Non-numeric atom coords - simulation unstable I check the dumped .xyz file and visualize it using VMD. I find the O atoms gradually close and even coincide during the simulation, which leads to the problem. The figure below shows the problem. ...