openpathsampling.engines.toy.Gaussian

class openpathsampling.engines.toy.Gaussian(A, alpha, x0)

Gaussian given by: \(A*exp(-\sum_i alpha[i]*(x[i]-x0[i])^2)\)

Parameters:

• A (float) – amplitude of the Gaussian

• alpha (list of float) – Gaussian width parameter

• x0 (list of float) – center of the Gaussian

__init__(A, alpha, x0)

Methods

V(sys)	Potential energy
__init__(A, alpha, x0)
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