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Re: [lammps-users] Lammps Help
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Re: [lammps-users] Lammps Help


From: Ray Shan <rayshan819@...24...>
Date: Tue, 22 Aug 2017 13:54:12 -0700

Please send your questions to the LAMMPS mailing list, instead of to me.

AIREBO potential does not have pre-defined bonds therefore the bond energy (presumably from thermo_style ebond) is always zero.

Ray

On Mon, Aug 21, 2017 at 9:27 AM, Arun Bikram Thapa <aaron.thapa143@...24...> wrote:
Hi Ray,

From lammps thread I found out that you were doing some calculation in vaan daar walls interaction energy between two sheet. I am getting zero bond energy by using airebo potential . Could you please suggest me the approach to solve that issue. I think you have found out the way to calculate the van daar walls energy between two sheets. Hope to get some idea about this from you.

The help will be greatly appreciated.

Thank you,
Arun