openpathsampling.engines.toy.LeapfrogVerletIntegrator

class openpathsampling.engines.toy.LeapfrogVerletIntegrator(dt)[source]

Leapfrog Verlet integrator

Not for actual use, but the momentum and position update functions are used in other integrators, so we inherit from this.

Parameters

dt (float) – time step

__init__(dt)[source]

Methods

__init__(dt)

args()

Return a list of args of the __init__ function of a class

base()

Return the most parent class actually derived from StorableObject

count_weaks()

Return number of objects subclassed from StorableObject still in memory

descendants()

Return a list of all subclassed objects

fix_name()

Set the objects name to be immutable.

from_dict(dct)

Reconstruct an object from a dictionary representaiton

get_uuid()

idx(store)

Return the index which is used for the object in the given store.

named(name)

Name an unnamed object.

objects()

Returns a dictionary of all storable objects

reverse_uuid()

ruuid(uid)

set_observer(active)

(De-)Activate observing creation of storable objects

step(sys)

Take an MD step.

to_dict()

Convert object into a dictionary representation

Attributes

ACTIVE_LONG

CREATION_COUNT

INSTANCE_UUID

base_cls

Return the base class

base_cls_name

Return the name of the base class

cls

Return the class name as a string

dd

default_name

Return the default name.

is_named

True if this object has a custom name.

name

Return the current name of the object.

observe_objects