compute displace/atom_cleav

Syntax

compute ID group_ID displace/atom_cleav 

This compute does not need any arguments. It calculates the \(\Delta x\), \(\Delta y\), \(\Delta z\) of all the atoms where \(\Delta\) is the difference in the position of the atom between the current time-step (after the integration of the equation of motion), and the previous time-step. The compute is needed in the step3 of the cleaving model to determine the evolution of the duplicate atoms (see fix move/dupl)