simple question about displacing atoms

Hi,

I am wondering if there is a simple way to displace a group of atoms on every Nth timestep. I want to do a test that would involve applying a displacement to some atoms, allowing the system to equilibrate for N timesteps, and repeating. If there is not a simple way to accomplish this, I think the alternatives I could try would be creating a loop, or to use fix move with writing a function that moves the atoms every N timesteps. Any advice on this is appreciated.

Thanks,
Kyle Rego

Hi,

I am wondering if there is a simple way to displace a group of atoms on
every Nth timestep. I want to do a test that would involve applying a
displacement to some atoms, allowing the system to equilibrate for N
timesteps, and repeating. If there is not a simple way to accomplish
this, I think the alternatives I could try would be creating a loop, or
to use fix move with writing a function that moves the atoms every N
timesteps. Any advice on this is appreciated.

​you can have an implicit loop​ through using the “every” option of the run command.
this will only work well, if the displacements are small (which seems to be the case),
otherwise an explicit loop is the next logical option to try.

axel.

Thank you Axel, your suggestion worked very well for me.

Kyle Rego