openpathsampling.engines.toy.PES_Sub

class openpathsampling.engines.toy.PES_Sub(pes1, pes2)

Difference of two potential energy surfaces; pes1 - pes2

Parameters:

• pes1 (PES) – first potential energy surface of the combination

• pes2 (PES) – second potential energy surface of the combination

__init__(pes1, pes2)

Methods

V(sys)	Potential energy
__init__(pes1, pes2)
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
dVdx(sys)	Derivative of potential energy (-force)
descendants()	Return a list of all subclassed objects
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.
kinetic_energy(sys)	Default kinetic energy implementation.
objects()	Returns a dictionary of all storable objects
reverse_uuid()
ruuid(uid)
set_observer(active)	(De-)Activate observing creation of storable objects
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
observe_objects