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(self, int steps) | |
| def | __init__ |
| __init__(self, double stepSize) -> VerletIntegrator __init__(self, VerletIntegrator other) -> VerletIntegrator | |
| def | __del__ |
| __del__(self) | |
Public Attributes | |
| this | |
Detailed Description
This is an Integrator which simulates a System using the leap-frog Verlet algorithm.
Member Function Documentation
| def __del__ | ( | self | ) |
__del__(self)
Reimplemented from Integrator.
| def __init__ | ( | self, | ||
| args | ||||
| ) |
__init__(self, double stepSize) -> VerletIntegrator __init__(self, VerletIntegrator other) -> VerletIntegrator
Create a VerletIntegrator.
- Parameters:
-
stepSize the step size with which to integrator the system (in picoseconds)
| def step | ( | self, | ||
| args | ||||
| ) |
step(self, int steps)
Advance a simulation through time by taking a series of time steps.
- Parameters:
-
steps the number of time steps to take
Reimplemented from Integrator.
Member Data Documentation
The documentation for this class was generated from the following file:
- openmm.py
