Open Qmin: force Class Reference

A base class for implementing force calculations. More...

#include <baseForce.h>

Inheritance diagram for force:

Collaboration diagram for force:

Public Member Functions
	force ()

virtual void	computeForces (GPUArray< dVec > &forces, bool zeroOutForce=true, int type=0)
	the call to compute forces, and store them in the referenced variable More...

virtual void	setForceParameters (vector< scalar > &params)
	some generic function to set parameters More...

void	setSimulation (shared_ptr< basicSimulation > _sim)
	set the simulation More...

virtual void	setModel (shared_ptr< simpleModel > _model)
	virtual function to allow the model to be a derived class More...

virtual scalar	computeEnergy (bool verbose=false)
	compute the energy associated with this force More...

virtual MatrixDxD	computePressureTensor ()
	compute the system-averaged pressure tensor; return identity if the force hasn't defined this yet More...

virtual void	setGPU (bool _useGPU=true)
	Enforce GPU operation. More...

void	setNeighborList (shared_ptr< neighborList > _neighbor)
	tell the force to use a neighbor list More...

virtual void	setNThreads (int n)
	allow for setting multiple threads More...

virtual scalar	getClassSize ()

Public Attributes
shared_ptr< basicSimulation >	sim
	A pointer to the governing simulation. More...

shared_ptr< simpleModel >	model
	A pointer to a simpleModel that the updater acts on. More...

bool	useGPU
	whether the updater does its work on the GPU or not More...

bool	neverGPU
	whether the updater never does work on the GPU More...

scalar	energy
	Forces might update the total energy associated with them. More...

GPUArray< scalar >	energyPerParticle
	on the gpu, this is per particle and then a reduction can be called More...

bool	useNeighborList
	does the force get an assist from a neighbor list? More...

shared_ptr< neighborList >	neighbors
	a pointer to a neighbor list the force might use More...

int	nThreads =1
	number of threads to use if compiled with openmp More...

Detailed Description

A base class for implementing force calculations.

Constructor & Destructor Documentation

◆ force()

force::force ( )

References useGPU, and useNeighborList.

Referenced by landauDeGennesLC::computeAllDistortionTermsBoundaryCPU(), landauDeGennesLC::computeAllDistortionTermsBulkCPU(), landauDeGennesLC::computeL1BoundaryCPU(), and landauDeGennesLC::computeL1BulkCPU().

Member Function Documentation

◆ computeForces()

void force::computeForces	(	GPUArray< dVec > &	forces,
		bool	zeroOutForce = `true`,
		int	type = `0`
	)

virtual

the call to compute forces, and store them in the referenced variable

Reimplemented in landauDeGennesLC, and baseLatticeForce.

◆ setForceParameters()

void force::setForceParameters ( vector< scalar > & params )

virtual

some generic function to set parameters

◆ setSimulation()

void force::setSimulation ( shared_ptr< basicSimulation > _sim )

inline

set the simulation

References sim.

◆ setModel()

virtual void force::setModel ( shared_ptr< simpleModel > _model )

inlinevirtual

virtual function to allow the model to be a derived class

References model.

◆ computeEnergy()

virtual scalar force::computeEnergy ( bool verbose = false )

inlinevirtual

compute the energy associated with this force

Reimplemented in baseLatticeForce.

◆ computePressureTensor()

virtual MatrixDxD force::computePressureTensor ( )

inlinevirtual

compute the system-averaged pressure tensor; return identity if the force hasn't defined this yet

◆ setGPU()

virtual void force::setGPU ( bool _useGPU = true )

inlinevirtual

Enforce GPU operation.

References neighbors, useGPU, and useNeighborList.

◆ setNeighborList()

void force::setNeighborList ( shared_ptr< neighborList > _neighbor )

inline

tell the force to use a neighbor list

References neighbors, and useNeighborList.

◆ setNThreads()

virtual void force::setNThreads ( int n )

inlinevirtual

allow for setting multiple threads

References n, and nThreads.

◆ getClassSize()

virtual scalar force::getClassSize ( )

inlinevirtual

Reimplemented in landauDeGennesLC, and baseLatticeForce.

References energyPerParticle, GPUArray< T >::getNumElements(), and scalar.

Referenced by baseLatticeForce::getClassSize().

Member Data Documentation

◆ sim

shared_ptr<basicSimulation> force::sim

A pointer to the governing simulation.

Referenced by setSimulation().

◆ model

shared_ptr<simpleModel> force::model

A pointer to a simpleModel that the updater acts on.

Referenced by landauDeGennesLC::setModel(), setModel(), and baseLatticeForce::setModel().

◆ useGPU

bool force::useGPU

whether the updater does its work on the GPU or not

Referenced by baseLatticeForce::computeEnergy(), landauDeGennesLC::computeFirstDerivatives(), baseLatticeForce::computeForces(), landauDeGennesLC::computeForces(), landauDeGennesLC::computeObjectForces(), force(), and setGPU().

◆ neverGPU

bool force::neverGPU

whether the updater never does work on the GPU

Referenced by landauDeGennesLC::landauDeGennesLC().

◆ energy

scalar force::energy

Forces might update the total energy associated with them.

Referenced by baseLatticeForce::computeEnergy(), baseLatticeForce::computeEnergyCPU(), landauDeGennesLC::computeEnergyCPU(), baseLatticeForce::computeEnergyGPU(), and landauDeGennesLC::computeEnergyGPU().

◆ energyPerParticle

GPUArray<scalar> force::energyPerParticle

on the gpu, this is per particle and then a reduction can be called

Referenced by getClassSize(), and landauDeGennesLC::landauDeGennesLC().

◆ useNeighborList

bool force::useNeighborList

does the force get an assist from a neighbor list?

Referenced by landauDeGennesLC::baseInitialization(), baseLatticeForce::baseLatticeForce(), force(), setGPU(), and setNeighborList().

◆ neighbors

shared_ptr<neighborList> force::neighbors

a pointer to a neighbor list the force might use

Referenced by landauDeGennesLC::computeBoundaryForcesCPU(), baseLatticeForce::computeEnergyCPU(), landauDeGennesLC::computeEnergyCPU(), landauDeGennesLC::computeEorHFieldForcesCPU(), landauDeGennesLC::computeFirstDerivatives(), baseLatticeForce::computeForceCPU(), setGPU(), and setNeighborList().

◆ nThreads

int force::nThreads =1

number of threads to use if compiled with openmp

Referenced by setNThreads().

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

Public Member Functions

Public Attributes

Detailed Description

Constructor & Destructor Documentation

◆ force()

Member Function Documentation

◆ computeForces()

◆ setForceParameters()

◆ setSimulation()

◆ setModel()

◆ computeEnergy()

◆ computePressureTensor()

◆ setGPU()

◆ setNeighborList()

◆ setNThreads()

◆ getClassSize()

Member Data Documentation

◆ sim

◆ model

◆ useGPU

◆ neverGPU

◆ energy

◆ energyPerParticle

◆ useNeighborList

◆ neighbors

◆ nThreads