[CPMD-list] periodic boundary conditions in metadynamics

[Ali Hassanali]

Dear CPMD Users,

Is anyone aware of how CPMD implements/handles PBC within the metadynamics
method. Lets say for example I have 2 atoms and I sample along the
distance between the 2 atoms in a periodic box. Does CPMD automatically
"wrap around" the collective variable beyond a certain point? So if a bond
breaks between 2 atoms during metadynamics, will the bonds reform due to
PBC conditions?

Or are PBC conditions not accounted for in metadynamics?

Ali