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

Public Attributes

 this
 
- Public Attributes inherited from Integrator
 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
stepSizethe step size with which to integrate the system (in picoseconds)

References simtk.openmm.openmm.stripUnits().

def __del__ (   self)

del(OpenMM::VerletIntegrator self)

References simtk.openmm.openmm.stripUnits().

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
stepsthe number of time steps to take

References simtk.openmm.openmm.stripUnits().

Member Data Documentation

this

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