Index

A

add_missing_backward_trials() (aimmd.distributed.CommittorSimulation method) aimmd module aimmd.analysis module aimmd.analysis.gradient_movie module aimmd.analysis.hipr module aimmd.base module aimmd.base.rcmodel module aimmd.base.rcmodel_train_decision module aimmd.base.storage module aimmd.base.trainset module aimmd.base.utils module aimmd.coords module aimmd.coords.internal module aimmd.coords.symmetry module

aimmd.coords.utils module aimmd.distributed module aimmd.distributed.committors module aimmd.distributed.config module aimmd.distributed.pathmovers module aimmd.distributed.pathsampling module aimmd.distributed.spselectors module aimmd.distributed.utils module aimmd.ops module aimmd.ops.hooks module aimmd.ops.selector module aimmd.ops.utils module aimmd.tools module

C

committor_engine_spec (aimmd.distributed.CommittorSimulation property) CommittorConfiguration (class in aimmd.distributed)

CommittorEngineSpec (class in aimmd.distributed) CommittorSimulation (class in aimmd.distributed) configurations (aimmd.distributed.CommittorSimulation property)

D

directory_backward (aimmd.distributed.CommittorSimulation property) directory_configuration_prefix (aimmd.distributed.CommittorSimulation property)

directory_forward (aimmd.distributed.CommittorSimulation property) directory_trial_prefix (aimmd.distributed.CommittorSimulation property)

F

fileout_deffnm_engine (aimmd.distributed.CommittorSimulation property) fileout_initial_configuration (aimmd.distributed.CommittorSimulation property) fileout_initial_configuration_backward (aimmd.distributed.CommittorSimulation property)

fileout_trajectory_to_state (aimmd.distributed.CommittorSimulation property) fileout_trajectory_to_state_backward (aimmd.distributed.CommittorSimulation property) fileout_transition_trajectory (aimmd.distributed.CommittorSimulation property)

M

max_retries_on_crash (aimmd.distributed.CommittorSimulation property) max_retries_on_max_steps (aimmd.distributed.CommittorSimulation property) module aimmd aimmd.analysis aimmd.analysis.gradient_movie aimmd.analysis.hipr aimmd.base aimmd.base.rcmodel aimmd.base.rcmodel_train_decision aimmd.base.storage aimmd.base.trainset aimmd.base.utils aimmd.coords aimmd.coords.internal aimmd.coords.symmetry aimmd.coords.utils aimmd.distributed aimmd.distributed.committors aimmd.distributed.config aimmd.distributed.pathmovers aimmd.distributed.pathsampling aimmd.distributed.spselectors aimmd.distributed.utils aimmd.ops aimmd.ops.hooks aimmd.ops.selector aimmd.ops.utils aimmd.tools

O

output_traj_type (aimmd.distributed.CommittorEngineSpec attribute)

R

reinitialize_from_workdir() (aimmd.distributed.CommittorSimulation method)

run() (aimmd.distributed.CommittorSimulation method)

S

states (aimmd.distributed.CommittorSimulation property) states_reached (aimmd.distributed.CommittorSimulation property)

states_reached_backward (aimmd.distributed.CommittorSimulation property) states_reached_per_trial (aimmd.distributed.CommittorSimulation property) states_reached_per_trial_backward (aimmd.distributed.CommittorSimulation property)

T

temperature (aimmd.distributed.CommittorSimulation property) trajectories_to_state (aimmd.distributed.CommittorSimulation property) trajectories_to_state_backward (aimmd.distributed.CommittorSimulation property)

transition_trajectories (aimmd.distributed.CommittorSimulation property) trial_counter (aimmd.distributed.CommittorSimulation property) two_way (aimmd.distributed.CommittorSimulation property)

W

workdir (aimmd.distributed.CommittorSimulation property)