Force Class Reference

Force objects apply forces to the particles in a System, or alter their behavior in other ways. More...

Inheritance diagram for Force:

Public Member Functions
def	__init__
def	__del__
	del(OpenMM::Force self) More...
def	getForceGroup
	getForceGroup(Force self) -> int More...
def	setForceGroup
	setForceGroup(Force self, int group) More...
def	__copy__
def	__deepcopy__

Detailed Description

Force objects apply forces to the particles in a System, or alter their behavior in other ways.

This is an abstract class. Subclasses define particular forces.

More specifically, a Force object can do any or all of the following:

• Add a contribution to the force on each particle

• Add a contribution to the potential energy of the System

• Modify the positions and velocities of particles at the start of each time step

• Define parameters which are stored in the Context and can be modified by the user

• Change the values of parameters defined by other Force objects at the start of each time step

Forces may be organized into "force groups". This is used for multiple time step integration, and allows subsets of the Forces in a System to be evaluated at different times. By default, all Forces are in group 0. Call setForceGroup() to change this. Some Force subclasses may provide additional methods to further split their computations into multiple groups. Be aware that particular Platforms may place restrictions on the use of force groups, such as requiring all nonbonded forces to be in the same group.

Constructor & Destructor Documentation

def __init__	(		self,
			args,
			kwargs
	)

def __del__

(

self

)

del(OpenMM::Force self)

References simtk.openmm.openmm.stripUnits().

Member Function Documentation

def __copy__

(

self

)

Referenced by Force.__deepcopy__().

def __deepcopy__	(		self,
			memo
	)

References Force.__copy__().

def getForceGroup

(

self

)

getForceGroup(Force self) -> int

Get the force group this Force belongs to.

References simtk.openmm.openmm.stripUnits().

def setForceGroup	(		self,
			args
	)

setForceGroup(Force self, int group)

Set the force group this Force belongs to.

Parameters

group

the group index. Legal values are between 0 and 31 (inclusive).

References simtk.openmm.openmm.stripUnits().

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

• openmm.py