Trajectory package¶
mesohops.dynamics.hops_trajectory class¶

class
HopsTrajectory
(system_param, eom_param={}, noise_param={}, hierarchy_param={}, integration_param={'INCHWORM': False, 'INCHWORM_MIN': 5, 'INTEGRATOR': 'RUNGE_KUTTA'})¶ Bases:
object
HopsTrajectory is the class that a user should interface with to run a single trajectory calculation.

inchworm_integrate
(self, state_update, aux_update, tau)¶ This function performs inchworm integration.
 Parameters
 1. state_update
 list_state_newlist
list of new states
 state_stablelist
list of stable states in the current basis
 list_add_statelist
list of new states that were not in previous state list
 2. aux_update
 aux_newlist
list of new auxiliaries
 stable_auxlist
list of stable auxiliaries in the current basis
 add_auxlist
list of new auxiliaries that were not in the previous aux list
 3. taufloat
the time step
 Returns
 state_update
 list_state_newlist
list of new states
 state_stablelist
list of stable states in the current basis
 list_add_statelist
list of new states that were not in previous state list
 aux_update
 aux_newlist
list of new auxiliaries
 stable_auxlist
list of stable auxiliaries in the current basis
 add_auxlist
list of new auxiliaries that were not in the previous aux list
 3. phinp.array
the full state of the hierarchy normalized if appropriate

initialize
(self, psi_0, store_aux=False)¶ This function initializes the trajectory module by ensuring that each subcomponent is prepared to begin propagating a trajectory.
 Parameters
 1. psi_0np.array
Wave function at initial time
 Returns
 None

make_adaptive
(self, delta_h=0.0001, delta_s=0.0001)¶ This is a convenience function for transforming a notyetinitialized HOPS trajectory from a standard hops to an adaptive HOPS approach.
 Parameters
 1. delta_hfloat < 1
The value of the adaptive grid for the hierarchy of auxiliary nodes
 2. delta_sfloat < 1
The value of the adaptive grid in the system basis
 Returns
 None

normalize
(self, phi)¶ This is the function that renormalizes the wave function at each step to correct for loss of norm due to finite numerical accuracy
 Parameters
 1. phinp.array
the current full state of the hierarchy
 Returns
 1. phinp.array
the full state of the hierarchy normalized if appropriate

propagate
(self, t_advance, tau)¶ This is the function that perform integration along fixed timepoints. The kind of integration that is performed is controlled by ‘step’ which was setup in the initialization.
 Parameters
 1. t_advancefloat
How far out in time the calculation will run
 2. taufloat
the time step
 Returns
 None

mesoshops.dynamics.hops_storage class¶

class
AdaptiveTrajectoryStorage
¶ Bases:
mesohops.dynamics.hops_storage.TrajectoryStorage
This is an object that manages storing information for a HOPS trajectory.

class
TrajectoryStorage
¶ Bases:
object
This is an object that manages storing information for a HOPS trajectory.