VerletIntegrator Class Reference

This is an Integrator which simulates a System using the leap-frog Verlet algorithm. More...

Inheritance diagram for VerletIntegrator:

Public Member Functions
def	step
	step(VerletIntegrator self, int steps)
def	__init__
	init(OpenMM::VerletIntegrator self, double stepSize) -> VerletIntegrator init(OpenMM::VerletIntegrator self, VerletIntegrator other) -> VerletIntegrator
def	__del__
	del(OpenMM::VerletIntegrator self)
Public Member Functions inherited from Integrator
def	__init__
def	__del__
	del(OpenMM::Integrator self)
def	getStepSize
	getStepSize(Integrator self) -> double
def	setStepSize
	setStepSize(Integrator self, double size)
def	getConstraintTolerance
	getConstraintTolerance(Integrator self) -> double
def	setConstraintTolerance
	setConstraintTolerance(Integrator self, double tol)
def	step
	step(Integrator self, int steps)

Public Attributes
	this

Detailed Description

This is an Integrator which simulates a System using the leap-frog Verlet algorithm.

Constructor & Destructor Documentation

def __init__	(		self,
			args
	)

init(OpenMM::VerletIntegrator self, double stepSize) -> VerletIntegrator init(OpenMM::VerletIntegrator self, VerletIntegrator other) -> VerletIntegrator

Create a VerletIntegrator.

Parameters

stepSize

the step size with which to integrator the system (in picoseconds)

def __del__

(

self

)

del(OpenMM::VerletIntegrator self)

Member Function Documentation

def step	(		self,
			args
	)

step(VerletIntegrator self, int steps)

Advance a simulation through time by taking a series of time steps.

Parameters

steps

the number of time steps to take

Member Data Documentation

this

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The documentation for this class was generated from the following file:

• openmm.py