LibraryΒΆ
- Trajectory Methods
TrajectorySH
NAC_matrix()
advance_position()
advance_velocity()
clone()
continue_simulating()
currently_interacting()
direction_of_rescale()
draw_new_zeta()
duration_initialize()
hamiltonian_propagator()
hop_allowed()
hop_to_it()
hop_update()
hopper()
kinetic_energy()
mode_kinetic_energy()
potential_energy()
propagate_electronics()
random()
rescale_component()
simulate()
snapshot()
surface_hopping()
total_energy()
trace()
update_weight()
Ehrenfest
NAC_matrix()
advance_position()
advance_velocity()
clone()
continue_simulating()
currently_interacting()
direction_of_rescale()
draw_new_zeta()
duration_initialize()
hamiltonian_propagator()
hop_allowed()
hop_to_it()
hop_update()
hopper()
kinetic_energy()
mode_kinetic_energy()
potential_energy()
propagate_electronics()
random()
rescale_component()
simulate()
snapshot()
surface_hopping()
total_energy()
trace()
update_weight()
TrajectoryCum
NAC_matrix()
advance_position()
advance_velocity()
clone()
continue_simulating()
currently_interacting()
direction_of_rescale()
draw_new_zeta()
duration_initialize()
hamiltonian_propagator()
hop_allowed()
hop_to_it()
hop_update()
hopper()
kinetic_energy()
mode_kinetic_energy()
potential_energy()
propagate_electronics()
random()
rescale_component()
simulate()
snapshot()
surface_hopping()
total_energy()
trace()
update_weight()
EvenSamplingTrajectory
NAC_matrix()
advance_position()
advance_velocity()
clone()
continue_simulating()
currently_interacting()
direction_of_rescale()
draw_new_zeta()
duration_initialize()
hamiltonian_propagator()
hop_allowed()
hop_to_it()
hop_update()
hopper()
kinetic_energy()
mode_kinetic_energy()
potential_energy()
propagate_electronics()
random()
rescale_component()
simulate()
snapshot()
surface_hopping()
total_energy()
trace()
update_weight()
- Built-in Models
- Trajectory Traces