Snapshot Modifiers

SnapshotModifier([subset_mask])

Abstract class for snapshot modification.

NoModification([subset_mask])

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.

SingleAtomVelocityDirectionModifier(delta_v)

Change a single atom according to the delta_v.