Queries regarding building LAMMPS code to validate QSD (Quasi static drag) technique

LAMMPS LAMMPS General Discussion
1

It is possible to move one atom (say, coordinates at 0.0, 0.0, 0.0) of the simulation box along (100) direction, till 0.1 Angstrom distance along x-direction (say, new coordinates after moving 0.1,0,0)? Then calculate the potential energy.
In order to compare the DFT results and empirical potential for radiation damage studies , I wish to try this concept in LAMMPS.

3

For displacing atoms instantaneously : displace_atoms
For displacing atoms progressively during a run : fix_move

Simon

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4

Thanks a lot!