Snapshot Modifiers


Abstract class for snapshot modification.


Modifier with no change: returns a copy of the snapshot.

RandomVelocities([beta, engine, subset_mask])

Randomize velocities according to the Boltzmann distribution.

GeneralizedDirectionModifier(delta_v[, …])

Snapshot modifier which changes velocity direction with constant energy.

VelocityDirectionModifier(delta_v[, …])

Randomly change all the velocities (in the subset masked, at least) according to the given delta_v.


Change a single atom according to the delta_v.