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[lammps-users] Tersoff potential with bonds, angles, etc.
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[lammps-users] Tersoff potential with bonds, angles, etc.

From: Fahim Faraji <fahimfaraji@...24...>
Date: Sun, 19 Nov 2017 11:28:50 +0330

Dear Lammps users,
I am simulating SPC/E water confined between graphene sheets. When I do not assign any potential for carbon atoms of the graphene sheets and they are just fixed particles, there is no problem.
But when I assign them a Tersoff potential, I get an error; even if I do not integrate the equations for carbon atoms and they are still fixed particles.
Can we use a many-body potential with bonds, angles, etc.?
Thanks and regards,