endstate_correction.protocol.NEQProtocol
- class endstate_correction.protocol.NEQProtocol(sim: Simulation, reference_samples: Trajectory | None = None, target_samples: Trajectory | None = None, nr_of_switches: int = -1, switching_length: int = 5000, save_endstates: bool = False, save_trajs: bool = False)[source]
Bases:
BaseProtocol
NEQ-specific protocol
Methods
Attributes
nr_of_switches
reference_samples
save_endstates
save_trajs
switching_length
target_samples
sim