fix deform box flip effect on unwrapped coordinates

Hello,

what is the effect on the unwrapped atom coordinates when using the the fix/deform with the box flip = yes? In terms of computing displacements of the atoms, I think this may present a problem.

Thanks,

Sven

I believe what should happen is the following.

If the box flips (say from tilted to the right, to tilted to the left)

is that atoms that are remapped from outside the new box

back into the new box, have their image flags changed

accordingly. This means that at any point in time,

if you dump out a snapshot with the current box,

the image flags (and thus the unwrapped coords) will

reflect periodic images of the current box.

Do you have evidence this is not happening correctly,

or why do you think this may “present a problem” ??

Steve