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[lammps-users] Atom type for same atoms
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[lammps-users] Atom type for same atoms


From: "zhaoxiao@...4953..." <zhaoxiao@...4953...>
Date: Mon, 31 Jul 2017 10:15:24 +0800

Hello guys,
    I have a very stupid question for atom type. For example, I have a structure of mixed water and hydrogen molecules. Since the potential parameters for H in H2O and H in H2 are different, I think these H atoms need to be set as two different atom types. Am I right about this?


赵骁
西安交通大学
动力工程多相流国家重点实验室
zhaoxiao@...4953...