Author Topic: group/group force calculate  (Read 611 times)

mostafa

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group/group force calculate
« on: October 27, 2017, 05:16:47 PM »
Dear all
I simulated gold fcc crystal
The size of simulation box is 60*60*60
I need divided simulation box in to groups that each group should contain 8 atoms of gold
Then i should calculate the pairwise force between groups
Is there any command  that help me do this work??
I used the command in lampps but it doesn't work for me because i used eam potential

Alexander Stukowski

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Re: group/group force calculate
« Reply #1 on: October 28, 2017, 01:11:39 PM »
Dear Mostofa,

It's not clear to me what you are after. For instance, how are the groups of 8 atoms supposed to look like?

But more importantly, note that OVITO cannot perform any force calculations. That is because OVITO doesn't know anything about the interactions between atoms. For that kind of calculation you need an MD simulation code such as LAMMPS. OVITO is only able to perform structural or kinematic types of analyses.