Dear Lammps Users,

I have a question about the ‘fix deform’ command of Lammps. According to the manual, the ‘erate’ argument

changes the specified dimension (for example x length) of the box via “constant displacement”.

Also, if the ‘volume’ argument is chosen for other two dimensions, then both the y,z box lengths will shrink as x increases

to keep the volume constant (product of x,y,z lengths). This means the all three boundaries are moving linearly

or with a constant velocity at each time step of a specific number of run.

If so, then my question is how are the velocity components of each atom inside the box determined at each time step? Do the

atoms also move with a constant boundary velocity in the respective direction during the whole run

or the constant boundary velocities are assigned to each atom at the beginning

of the simulation and then the atomic positions and velocity components are updated at each time step following the Velocity-Verlet algorithm?

I would really appreciate any suggestion.

Thank you.

Ishraq Shabib