[lammps-users] potential energy

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1

No, the difference is not the tail energy. Tail energy should be -140, but the difference is 140.

2

Dear all,

I find if I change the command:
pair_style lj/cut/coul/long 9.0
into:
pair_style lj/coul cut long 9.0

then it is consistent, and the total potential pe is equal to evdwl + etail + …

Values of other terms are not changes. Only the evdwl changed, which is 140 less now.

Does ‘pair_style lj/cut/coul/long’ have some problems?

Thanks
Bingster