qmcblip.flare.verlet module

Custom Verlet scheme.

class qmcblip.flare.verlet.CustomVerlet(atoms, timestep=None, trajectory=None, logfile=None, loginterval=1, dt=None, append_trajectory=False)[source]

Bases: ase.md.verlet.VelocityVerlet

Custom Verlet scheme for ASE and FLARE.

step(forces=None)[source]

this needs to be implemented by subclasses