[lammps-users] How can I get each terms of the potential energy using EAM potentials?

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1

Hello, nice to meet you :slight_smile:

In EAM potentials, interatomic potential function is composed of a pair interaction term and embedding term.

How can I get each terms of the potential energy when I use the EAM potentials? (like Au_VC and etc.)

I could get only total potential energy. I want to get the potential energy of the pair inteaction term and the potential energy of the embedding term

Thanks for reading

Sincerely yours

2

You'd have to instrument pair_eam.cpp yourself to get that
level of info.

Steve

2008/6/18 유준환 <[email protected]...>: