Open Qmin: landauDeGennesLC Class Reference

A landau-de gennes q-tensor framework force computer...currently working with the one-constant approximation for the distortion term. More...

#include <landauDeGennesLC.h>

Inheritance diagram for landauDeGennesLC:

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Collaboration diagram for landauDeGennesLC:

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Public Member Functions
	landauDeGennesLC (bool _neverGPU=false)

	landauDeGennesLC (scalar _A, scalar _B, scalar _C, scalar _L1)

	landauDeGennesLC (scalar _A, scalar _B, scalar _C, scalar _L1, scalar _L2, scalar _L3, scalar _L4, scalar _L6)

	landauDeGennesLC (scalar _A, scalar _B, scalar _C, scalar _L1, scalar _L2, scalar _L3orWavenumber, distortionEnergyType _type)

void	baseInitialization ()
	set up a few basic things (common force tuners, number of energy components, etc.) More...

virtual void	setModel (shared_ptr< cubicLattice > _model)
	The model setting creates an additional data structure to help with 2- or 3- constant approximation. More...

virtual void	computeForces (GPUArray< dVec > &forces, bool zeroOutForce=true, int type=0)
	use the "type" flag to select either bulk or boundary routines More...

virtual void	computeForceGPU (GPUArray< dVec > &forces, bool zeroOutForce=true)
	As an example of usage, we'll implement an n-Vector model force w/ nearest-neighbor interactions. More...

void	setPhaseConstants (scalar _a=-1, scalar _b=-12.325581395, scalar _c=10.058139535)

void	setElasticConstants (scalar _l1=2.32, scalar _l2=0, scalar _l3=0, scalar _l4=0, scalar _l6=0)

void	setNumberOfConstants (distortionEnergyType _type)

virtual void	computeForceCPU (GPUArray< dVec > &forces, bool zeroOutForce=true, int type=0)

virtual void	computeObjectForces (int objectIdx)
	compute the forces on the objects in the system More...

virtual void	computeFirstDerivatives ()
	Precompute the first derivatives at all of the LC Sites. More...

virtual void	computeStressTensors (GPUArray< int > &sites, GPUArray< Matrix3x3 > &stress)
	compute the stress tensors at the given set of sites More...

virtual void	computeBoundaryForcesCPU (GPUArray< dVec > &forces, bool zeroOutForce)

virtual void	computeBoundaryForcesGPU (GPUArray< dVec > &forces, bool zeroOutForce)

virtual void	computeEorHFieldForcesCPU (GPUArray< dVec > &forces, bool zeroOutForce, scalar3 field, scalar anisotropicSusceptibility, scalar vacuumPermeability)

virtual void	computeEorHFieldForcesGPU (GPUArray< dVec > &forces, bool zeroOutForce, scalar3 field, scalar anisotropicSusceptibility, scalar vacuumPermeability)

virtual void	computeEnergyCPU (bool verbose=false)
	As an example of usage, we'll implement an n-Vector model force w/ nearest-neighbor interactions. More...

virtual void	computeEnergyGPU (bool verbose=false)

void	printTuners ()

void	setEField (scalar3 field, scalar eps, scalar eps0, scalar deltaEps)

void	setHField (scalar3 field, scalar chi, scalar _mu0, scalar _deltaChi)

virtual scalar	getClassSize ()

virtual void	computeForceCPU (GPUArray< dVec > &forces, bool zeroOutForce=true)
	As an example of usage, we'll implement an n-Vector model force w/ nearest-neighbor interactions. More...

void	setJ (scalar _j)

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

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

Public Attributes
vector< scalar >	energyComponents
	A vector storing the components of energy (phase,distortion,anchoring) More...

GPUArray< scalar >	energyDensity
	the free energy density at each lattice site More...

GPUArray< scalar >	energyDensityReduction
	A helper array for energy reductions. More...

GPUArray< scalar3 >	objectForceArray
	the force from stresses at the surface of an object More...

shared_ptr< kernelTuner >	forceTuner
	kernelTuner object More...

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...

Protected Member Functions
virtual void	computeL1BulkCPU (GPUArray< dVec > &forces, bool zeroOutForce)
	Compute L1 distortion terms in the bulk and the phase force. More...

virtual void	computeL1BoundaryCPU (GPUArray< dVec > &forces, bool zeroOutForce)
	Compute L1 distortion terms at boundaries and the phase force. More...

virtual void	computeAllDistortionTermsBulkCPU (GPUArray< dVec > &forces, bool zeroOutForce)
	Compute all distortion terms in the bulk and the phase force. More...

virtual void	computeAllDistortionTermsBoundaryCPU (GPUArray< dVec > &forces, bool zeroOutForce)
	Compute all distortion terms at boundaries and the phase force. More...

Protected Attributes
scalar	A
	constants, etc. More...

scalar	B

scalar	C

scalar	L1

scalar	L2

scalar	L3

scalar	L4

scalar	L6

scalar	q0

scalar3	Efield

scalar	deltaEpsilon

scalar	epsilon0

scalar	epsilon

scalar3	Hfield

scalar	deltaChi

scalar	Chi

scalar	mu0

distortionEnergyType	numberOfConstants
	number of elastic constants More...

bool	computeEfieldContribution
	switches for extra parts of the energy/force calculations More...

bool	computeHfieldContribution

GPUArray< cubicLatticeDerivativeVector >	forceCalculationAssist
	for 2- and 3- constant approximations, the force calculation is helped by first pre-computing first derivatives More...

shared_ptr< kernelTuner >	forceAssistTuner
	performance for the first derivative calculation More...

shared_ptr< kernelTuner >	boundaryForceTuner
	performance for the boundary force kernel More...

shared_ptr< kernelTuner >	l24ForceTuner
	performance for the l24 force kernel More...

shared_ptr< kernelTuner >	fieldForceTuner
	performance for the E/H field force kernel More...

shared_ptr< cubicLattice >	lattice

scalar	J
	if all lattice interactions are uniform More...

Detailed Description

A landau-de gennes q-tensor framework force computer...currently working with the one-constant approximation for the distortion term.

Constructor & Destructor Documentation

◆ landauDeGennesLC() [1/4]

landauDeGennesLC::landauDeGennesLC ( bool _neverGPU = false )

References baseInitialization(), energyDensity, energyDensityReduction, force::energyPerParticle, forceCalculationAssist, force::neverGPU, GPUArray< T >::noGPU, and objectForceArray.

◆ landauDeGennesLC() [2/4]

landauDeGennesLC::landauDeGennesLC	(	scalar	_A,
		scalar	_B,
		scalar	_C,
		scalar	_L1
	)

References baseInitialization(), oneConstant, and setNumberOfConstants().

◆ landauDeGennesLC() [3/4]

landauDeGennesLC::landauDeGennesLC	(	scalar	_A,
		scalar	_B,
		scalar	_C,
		scalar	_L1,
		scalar	_L2,
		scalar	_L3,
		scalar	_L4,
		scalar	_L6
	)

References baseInitialization(), multiConstant, and setNumberOfConstants().

◆ landauDeGennesLC() [4/4]

landauDeGennesLC::landauDeGennesLC	(	scalar	_A,
		scalar	_B,
		scalar	_C,
		scalar	_L1,
		scalar	_L2,
		scalar	_L3orWavenumber,
		distortionEnergyType	_type
	)

References baseInitialization(), and setNumberOfConstants().

Member Function Documentation

◆ baseInitialization()

void landauDeGennesLC::baseInitialization ( )

set up a few basic things (common force tuners, number of energy components, etc.)

References boundaryForceTuner, computeEfieldContribution, computeHfieldContribution, energyComponents, fieldForceTuner, forceAssistTuner, baseLatticeForce::forceTuner, l24ForceTuner, and force::useNeighborList.

Referenced by landauDeGennesLC().

◆ setModel() [1/2]

void landauDeGennesLC::setModel ( shared_ptr< cubicLattice > _model )

virtual

The model setting creates an additional data structure to help with 2- or 3- constant approximation.

Reimplemented from baseLatticeForce.

References energyDensity, energyDensityReduction, baseLatticeForce::lattice, force::model, multiConstant, numberOfConstants, and GPUArray< T >::resize().

◆ computeForces()

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

virtual

use the "type" flag to select either bulk or boundary routines

Reimplemented from baseLatticeForce.

References computeForceCPU(), computeForceGPU(), and force::useGPU.

◆ computeForceGPU()

void landauDeGennesLC::computeForceGPU	(	GPUArray< dVec > &	forces,
		bool	zeroOutForce = `true`
	)

virtual

As an example of usage, we'll implement an n-Vector model force w/ nearest-neighbor interactions.

Reimplemented from baseLatticeForce.

References A, B, C, computeBoundaryForcesGPU(), computeEfieldContribution, computeEorHFieldForcesGPU(), computeFirstDerivatives(), computeHfieldContribution, ArrayHandle< T >::data, deltaChi, deltaEpsilon, access_location::device, Efield, epsilon0, forceCalculationAssist, baseLatticeForce::forceTuner, gpu_qTensor_multiConstantForce(), gpu_qTensor_oneConstantForce(), Hfield, L1, L2, L3, L4, L6, baseLatticeForce::lattice, mu0, multiConstant, numberOfConstants, oneConstant, access_mode::read, and access_mode::readwrite.

Referenced by computeForces().

◆ setPhaseConstants()

void landauDeGennesLC::setPhaseConstants	(	scalar	_a = `-1`,
		scalar	_b = `-12.325581395`,
		scalar	_c = `10.058139535`
	)

inline

References A, B, and C.

◆ setElasticConstants()

void landauDeGennesLC::setElasticConstants	(	scalar	_l1 = `2.32`,
		scalar	_l2 = `0`,
		scalar	_l3 = `0`,
		scalar	_l4 = `0`,
		scalar	_l6 = `0`
	)

inline

References L1, L2, L3, L4, and L6.

◆ setNumberOfConstants()

void landauDeGennesLC::setNumberOfConstants ( distortionEnergyType _type )

References multiConstant, and numberOfConstants.

Referenced by landauDeGennesLC().

◆ computeForceCPU() [1/2]

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

virtual

◆ computeObjectForces()

void landauDeGennesLC::computeObjectForces ( int objectIdx )

virtual

compute the forces on the objects in the system

References computeStressTensors(), ArrayHandle< T >::data, access_location::device, GPUArray< T >::getNumElements(), gpu_qTensor_computeObjectForceFromStresses(), access_location::host, baseLatticeForce::lattice, make_scalar3(), objectForceArray, access_mode::overwrite, access_mode::read, GPUArray< T >::resize(), scalar3, and force::useGPU.

◆ computeFirstDerivatives()

void landauDeGennesLC::computeFirstDerivatives ( )

virtual

Precompute the first derivatives at all of the LC Sites.

References ArrayHandle< T >::data, access_location::device, forceAssistTuner, forceCalculationAssist, GPUArray< T >::getNumElements(), gpu_qTensor_firstDerivatives(), access_location::host, idx, baseLatticeForce::lattice, force::neighbors, access_mode::read, access_mode::readwrite, GPUArray< T >::resize(), and force::useGPU.

Referenced by computeForceCPU(), computeForceGPU(), and computeStressTensors().

◆ computeStressTensors()

void landauDeGennesLC::computeStressTensors	(	GPUArray< int > &	sites,
		GPUArray< Matrix3x3 > &	stresses
	)

virtual

compute the stress tensors at the given set of sites

expression from "Hierarchical self-assembly of nematic colloidal superstructures" PHYSICAL REVIEW E 77, 061706 (2008)

References computeEnergyCPU(), computeFirstDerivatives(), ArrayHandle< T >::data, energyDensity, forceCalculationAssist, GPUArray< T >::getNumElements(), access_location::host, L1, n, numberOfConstants, oneConstant, access_mode::overwrite, access_mode::read, GPUArray< T >::resize(), Matrix3x3::set(), Matrix3x3::x11, Matrix3x3::x22, and Matrix3x3::x33.

Referenced by computeObjectForces().

◆ computeBoundaryForcesCPU()

void landauDeGennesLC::computeBoundaryForcesCPU	(	GPUArray< dVec > &	forces,
		bool	zeroOutForce
	)

virtual

References computeBoundaryForce(), ArrayHandle< T >::data, baseLatticeForce::lattice, make_dVec(), and force::neighbors.

Referenced by computeForceCPU().

◆ computeBoundaryForcesGPU()

void landauDeGennesLC::computeBoundaryForcesGPU	(	GPUArray< dVec > &	forces,
		bool	zeroOutForce
	)

virtual

References boundaryForceTuner, ArrayHandle< T >::data, access_location::device, gpu_qTensor_computeBoundaryForcesGPU(), baseLatticeForce::lattice, access_mode::read, and access_mode::readwrite.

Referenced by computeForceGPU().

◆ computeEorHFieldForcesCPU()

void landauDeGennesLC::computeEorHFieldForcesCPU	(	GPUArray< dVec > &	forces,
		bool	zeroOutForce,
		scalar3	field,
		scalar	anisotropicSusceptibility,
		scalar	vacuumPermeability
	)

virtual

References ArrayHandle< T >::data, baseLatticeForce::lattice, make_dVec(), force::neighbors, and scalar.

Referenced by computeForceCPU().

◆ computeEorHFieldForcesGPU()

void landauDeGennesLC::computeEorHFieldForcesGPU	(	GPUArray< dVec > &	forces,
		bool	zeroOutForce,
		scalar3	field,
		scalar	anisotropicSusceptibility,
		scalar	vacuumPermeability
	)

virtual

References boundaryForceTuner, ArrayHandle< T >::data, access_location::device, fieldForceTuner, gpu_qTensor_computeUniformFieldForcesGPU(), baseLatticeForce::lattice, access_mode::read, and access_mode::readwrite.

Referenced by computeForceGPU().

◆ computeEnergyCPU()

void landauDeGennesLC::computeEnergyCPU ( bool verbose = false )

virtual

As an example of usage, we'll implement an n-Vector model force w/ nearest-neighbor interactions.

Reimplemented from baseLatticeForce.

References A, B, C, Chi, computeBoundaryEnergy(), computeEfieldContribution, computeHfieldContribution, ArrayHandle< T >::data, deltaChi, deltaEpsilon, Efield, force::energy, energyComponents, energyDensity, epsilon, epsilon0, Hfield, L1, L2, L3, L4, L6, baseLatticeForce::lattice, mu0, force::neighbors, scalar, TrQ2(), TrQ2Squared(), and TrQ3().

Referenced by computeStressTensors().

◆ computeEnergyGPU()

void landauDeGennesLC::computeEnergyGPU ( bool verbose = false )

virtual

Reimplemented from baseLatticeForce.

References A, B, C, Chi, computeEfieldContribution, computeHfieldContribution, ArrayHandle< T >::data, deltaChi, deltaEpsilon, access_location::device, Efield, force::energy, energyDensity, energyDensityReduction, epsilon, epsilon0, getNumBlocksAndThreads(), gpu_computeAllEnergyTerms(), gpuReduction(), Hfield, L1, L2, L3, L4, L6, baseLatticeForce::lattice, mu0, access_mode::read, access_mode::readwrite, and scalar.

◆ printTuners()

void landauDeGennesLC::printTuners ( )

inline

References boundaryForceTuner, forceAssistTuner, baseLatticeForce::forceTuner, baseLatticeForce::lattice, numberOfConstants, and oneConstant.

◆ setEField()

void landauDeGennesLC::setEField	(	scalar3	field,
		scalar	eps,
		scalar	eps0,
		scalar	deltaEps
	)

inline

References computeEfieldContribution, deltaEpsilon, Efield, epsilon, and epsilon0.

◆ setHField()

void landauDeGennesLC::setHField	(	scalar3	field,
		scalar	chi,
		scalar	_mu0,
		scalar	_deltaChi
	)

inline

References Chi, computeHfieldContribution, deltaChi, Hfield, and mu0.

◆ getClassSize()

virtual scalar landauDeGennesLC::getClassSize ( )

inlinevirtual

Reimplemented from baseLatticeForce.

References energyComponents, energyDensity, forceCalculationAssist, baseLatticeForce::getClassSize(), GPUArray< T >::getNumElements(), objectForceArray, and scalar.

◆ computeL1BulkCPU()

void landauDeGennesLC::computeL1BulkCPU	(	GPUArray< dVec > &	forces,
		bool	zeroOutForce
	)

protectedvirtual

Compute L1 distortion terms in the bulk and the phase force.

References A, B, lcForce::bulkL1Force(), C, ArrayHandle< T >::data, derivativeTrQ2(), derivativeTrQ2Squared(), derivativeTrQ3(), force::force(), access_location::host, L1, baseLatticeForce::lattice, access_mode::read, and scalar.

Referenced by computeForceCPU().

◆ computeL1BoundaryCPU()

void landauDeGennesLC::computeL1BoundaryCPU	(	GPUArray< dVec > &	forces,
		bool	zeroOutForce
	)

protectedvirtual

Compute L1 distortion terms at boundaries and the phase force.

References A, B, lcForce::boundaryL1Force(), lcForce::bulkL1Force(), C, ArrayHandle< T >::data, derivativeTrQ2(), derivativeTrQ2Squared(), derivativeTrQ3(), force::force(), access_location::host, L1, baseLatticeForce::lattice, access_mode::read, and scalar.

Referenced by computeForceCPU().

◆ computeAllDistortionTermsBulkCPU()

void landauDeGennesLC::computeAllDistortionTermsBulkCPU	(	GPUArray< dVec > &	forces,
		bool	zeroOutForce
	)

protectedvirtual

Compute all distortion terms in the bulk and the phase force.

References A, B, lcForce::bulkL1Force(), lcForce::bulkL2Force(), lcForce::bulkL3Force(), lcForce::bulkL4Force(), lcForce::bulkL6Force(), C, ArrayHandle< T >::data, derivativeTrQ2(), derivativeTrQ2Squared(), derivativeTrQ3(), force::force(), forceCalculationAssist, access_location::host, L1, L2, L3, L4, L6, baseLatticeForce::lattice, access_mode::read, and scalar.

Referenced by computeForceCPU().

◆ computeAllDistortionTermsBoundaryCPU()

void landauDeGennesLC::computeAllDistortionTermsBoundaryCPU	(	GPUArray< dVec > &	forces,
		bool	zeroOutForce
	)

protectedvirtual

Compute all distortion terms at boundaries and the phase force.

References A, B, lcForce::boundaryL1Force(), lcForce::boundaryL2Force(), lcForce::boundaryL3Force(), lcForce::boundaryL4Force(), lcForce::boundaryL6Force(), lcForce::bulkL1Force(), lcForce::bulkL2Force(), lcForce::bulkL3Force(), lcForce::bulkL4Force(), lcForce::bulkL6Force(), C, ArrayHandle< T >::data, derivativeTrQ2(), derivativeTrQ2Squared(), derivativeTrQ3(), force::force(), forceCalculationAssist, lcForce::getBoundaryCase(), access_location::host, L1, L2, L3, L4, L6, baseLatticeForce::lattice, access_mode::read, and scalar.

Referenced by computeForceCPU().

◆ computeForceCPU() [2/2]

void baseLatticeForce::computeForceCPU	(	GPUArray< dVec > &	forces,
		bool	zeroOutForce = `true`
	)

virtualinherited

As an example of usage, we'll implement an n-Vector model force w/ nearest-neighbor interactions.

References ArrayHandle< T >::data, baseLatticeForce::J, baseLatticeForce::lattice, make_dVec(), and force::neighbors.

Referenced by baseLatticeForce::computeForces().

◆ setJ()

void baseLatticeForce::setJ ( scalar _j )

inlineinherited

References baseLatticeForce::J.

◆ computeEnergy()

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

inlinevirtualinherited

compute the energy associated with this force

Reimplemented from force.

References baseLatticeForce::computeEnergyCPU(), baseLatticeForce::computeEnergyGPU(), force::energy, and force::useGPU.

◆ setModel() [2/2]

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

inlinevirtualinherited

virtual function to allow the model to be a derived class

References force::model.

◆ setForceParameters()

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

virtualinherited

some generic function to set parameters

◆ setSimulation()

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

inlineinherited

set the simulation

References force::sim.

◆ computePressureTensor()

virtual MatrixDxD force::computePressureTensor ( )

inlinevirtualinherited

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

◆ setGPU()

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

inlinevirtualinherited

Enforce GPU operation.

References force::neighbors, force::useGPU, and force::useNeighborList.

◆ setNeighborList()

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

inlineinherited

tell the force to use a neighbor list

References force::neighbors, and force::useNeighborList.

◆ setNThreads()

virtual void force::setNThreads ( int n )

inlinevirtualinherited

allow for setting multiple threads

References n, and force::nThreads.

Member Data Documentation

◆ energyComponents

vector<scalar> landauDeGennesLC::energyComponents

A vector storing the components of energy (phase,distortion,anchoring)

Referenced by baseInitialization(), computeEnergyCPU(), and getClassSize().

◆ energyDensity

GPUArray<scalar> landauDeGennesLC::energyDensity

the free energy density at each lattice site

Referenced by computeEnergyCPU(), computeEnergyGPU(), computeStressTensors(), getClassSize(), landauDeGennesLC(), and setModel().

◆ energyDensityReduction

GPUArray<scalar> landauDeGennesLC::energyDensityReduction

A helper array for energy reductions.

Referenced by computeEnergyGPU(), landauDeGennesLC(), and setModel().

◆ objectForceArray

GPUArray<scalar3> landauDeGennesLC::objectForceArray

the force from stresses at the surface of an object

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

◆ A

scalar landauDeGennesLC::A

protected

constants, etc.

Referenced by computeAllDistortionTermsBoundaryCPU(), computeAllDistortionTermsBulkCPU(), computeEnergyCPU(), computeEnergyGPU(), computeForceGPU(), computeL1BoundaryCPU(), computeL1BulkCPU(), and setPhaseConstants().

◆ B

scalar landauDeGennesLC::B

protected

◆ C

scalar landauDeGennesLC::C

protected

◆ L1

scalar landauDeGennesLC::L1

protected

◆ L2

scalar landauDeGennesLC::L2

protected

Referenced by computeAllDistortionTermsBoundaryCPU(), computeAllDistortionTermsBulkCPU(), computeEnergyCPU(), computeEnergyGPU(), computeForceGPU(), and setElasticConstants().

◆ L3

scalar landauDeGennesLC::L3

protected

Referenced by computeAllDistortionTermsBoundaryCPU(), computeAllDistortionTermsBulkCPU(), computeEnergyCPU(), computeEnergyGPU(), computeForceGPU(), and setElasticConstants().

◆ L4

scalar landauDeGennesLC::L4

protected

Referenced by computeAllDistortionTermsBoundaryCPU(), computeAllDistortionTermsBulkCPU(), computeEnergyCPU(), computeEnergyGPU(), computeForceGPU(), and setElasticConstants().

◆ L6

scalar landauDeGennesLC::L6

protected

Referenced by computeAllDistortionTermsBoundaryCPU(), computeAllDistortionTermsBulkCPU(), computeEnergyCPU(), computeEnergyGPU(), computeForceGPU(), and setElasticConstants().

◆ q0

scalar landauDeGennesLC::q0

protected

◆ Efield

scalar3 landauDeGennesLC::Efield

protected

Referenced by computeEnergyCPU(), computeEnergyGPU(), computeForceCPU(), computeForceGPU(), and setEField().

◆ deltaEpsilon

scalar landauDeGennesLC::deltaEpsilon

protected

Referenced by computeEnergyCPU(), computeEnergyGPU(), computeForceCPU(), computeForceGPU(), and setEField().

◆ epsilon0

scalar landauDeGennesLC::epsilon0

protected

Referenced by computeEnergyCPU(), computeEnergyGPU(), computeForceCPU(), computeForceGPU(), and setEField().

◆ epsilon

scalar landauDeGennesLC::epsilon

protected

Referenced by computeEnergyCPU(), computeEnergyGPU(), and setEField().

◆ Hfield

scalar3 landauDeGennesLC::Hfield

protected

Referenced by computeEnergyCPU(), computeEnergyGPU(), computeForceCPU(), computeForceGPU(), and setHField().

◆ deltaChi

scalar landauDeGennesLC::deltaChi

protected

Referenced by computeEnergyCPU(), computeEnergyGPU(), computeForceCPU(), computeForceGPU(), and setHField().

◆ Chi

scalar landauDeGennesLC::Chi

protected

Referenced by computeEnergyCPU(), computeEnergyGPU(), and setHField().

◆ mu0

scalar landauDeGennesLC::mu0

protected

Referenced by computeEnergyCPU(), computeEnergyGPU(), computeForceCPU(), computeForceGPU(), and setHField().

◆ numberOfConstants

distortionEnergyType landauDeGennesLC::numberOfConstants

protected

number of elastic constants

Referenced by computeForceCPU(), computeForceGPU(), computeStressTensors(), printTuners(), setModel(), and setNumberOfConstants().

◆ computeEfieldContribution

bool landauDeGennesLC::computeEfieldContribution

protected

switches for extra parts of the energy/force calculations

Referenced by baseInitialization(), computeEnergyCPU(), computeEnergyGPU(), computeForceCPU(), computeForceGPU(), and setEField().

◆ computeHfieldContribution

bool landauDeGennesLC::computeHfieldContribution

protected

Referenced by baseInitialization(), computeEnergyCPU(), computeEnergyGPU(), computeForceCPU(), computeForceGPU(), and setHField().

◆ forceCalculationAssist

GPUArray<cubicLatticeDerivativeVector> landauDeGennesLC::forceCalculationAssist

protected

for 2- and 3- constant approximations, the force calculation is helped by first pre-computing first derivatives

Referenced by computeAllDistortionTermsBoundaryCPU(), computeAllDistortionTermsBulkCPU(), computeFirstDerivatives(), computeForceGPU(), computeStressTensors(), getClassSize(), and landauDeGennesLC().

◆ forceAssistTuner

shared_ptr<kernelTuner> landauDeGennesLC::forceAssistTuner

protected

performance for the first derivative calculation

Referenced by baseInitialization(), computeFirstDerivatives(), and printTuners().

◆ boundaryForceTuner

shared_ptr<kernelTuner> landauDeGennesLC::boundaryForceTuner

protected

performance for the boundary force kernel

Referenced by baseInitialization(), computeBoundaryForcesGPU(), computeEorHFieldForcesGPU(), and printTuners().

◆ l24ForceTuner

shared_ptr<kernelTuner> landauDeGennesLC::l24ForceTuner

protected

performance for the l24 force kernel

Referenced by baseInitialization().

◆ fieldForceTuner

shared_ptr<kernelTuner> landauDeGennesLC::fieldForceTuner

protected

performance for the E/H field force kernel

Referenced by baseInitialization(), and computeEorHFieldForcesGPU().

◆ forceTuner

shared_ptr<kernelTuner> baseLatticeForce::forceTuner

inherited

kernelTuner object

Referenced by baseInitialization(), baseLatticeForce::baseLatticeForce(), baseLatticeForce::computeForceGPU(), computeForceGPU(), and printTuners().

◆ lattice

◆ J

scalar baseLatticeForce::J

protectedinherited

if all lattice interactions are uniform

Referenced by baseLatticeForce::baseLatticeForce(), baseLatticeForce::computeEnergyCPU(), baseLatticeForce::computeForceCPU(), baseLatticeForce::computeForceGPU(), and baseLatticeForce::setJ().

◆ sim

shared_ptr<basicSimulation> force::sim

inherited

A pointer to the governing simulation.

Referenced by force::setSimulation().

◆ model

shared_ptr<simpleModel> force::model

inherited

A pointer to a simpleModel that the updater acts on.

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

◆ useGPU

bool force::useGPU

inherited

whether the updater does its work on the GPU or not

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

◆ neverGPU

bool force::neverGPU

inherited

whether the updater never does work on the GPU

Referenced by landauDeGennesLC().

◆ energy

scalar force::energy

inherited

Forces might update the total energy associated with them.

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

◆ energyPerParticle

GPUArray<scalar> force::energyPerParticle

inherited

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

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

◆ useNeighborList

bool force::useNeighborList

inherited

does the force get an assist from a neighbor list?

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

◆ neighbors

shared_ptr<neighborList> force::neighbors

inherited

a pointer to a neighbor list the force might use

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

◆ nThreads

int force::nThreads =1

inherited

number of threads to use if compiled with openmp

Referenced by force::setNThreads().

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

Public Member Functions

Public Attributes

Protected Member Functions

Protected Attributes

Detailed Description

Constructor & Destructor Documentation

◆ landauDeGennesLC() [1/4]

◆ landauDeGennesLC() [2/4]

◆ landauDeGennesLC() [3/4]

◆ landauDeGennesLC() [4/4]

Member Function Documentation

◆ baseInitialization()

◆ setModel() [1/2]

◆ computeForces()

◆ computeForceGPU()

◆ setPhaseConstants()

◆ setElasticConstants()

◆ setNumberOfConstants()

◆ computeForceCPU() [1/2]

◆ computeObjectForces()

◆ computeFirstDerivatives()

◆ computeStressTensors()

◆ computeBoundaryForcesCPU()

◆ computeBoundaryForcesGPU()

◆ computeEorHFieldForcesCPU()

◆ computeEorHFieldForcesGPU()

◆ computeEnergyCPU()

◆ computeEnergyGPU()

◆ printTuners()

◆ setEField()

◆ setHField()

◆ getClassSize()

◆ computeL1BulkCPU()

◆ computeL1BoundaryCPU()

◆ computeAllDistortionTermsBulkCPU()

◆ computeAllDistortionTermsBoundaryCPU()

◆ computeForceCPU() [2/2]

◆ setJ()

◆ computeEnergy()

◆ setModel() [2/2]

◆ setForceParameters()

◆ setSimulation()

◆ computePressureTensor()

◆ setGPU()

◆ setNeighborList()

◆ setNThreads()

Member Data Documentation

◆ energyComponents

◆ energyDensity

◆ energyDensityReduction

◆ objectForceArray

◆ A

◆ B

◆ C

◆ L1

◆ L2

◆ L3

◆ L4

◆ L6

◆ q0

◆ Efield

◆ deltaEpsilon

◆ epsilon0

◆ epsilon

◆ Hfield

◆ deltaChi

◆ Chi

◆ mu0

◆ numberOfConstants

◆ computeEfieldContribution

◆ computeHfieldContribution

◆ forceCalculationAssist

◆ forceAssistTuner

◆ boundaryForceTuner

◆ l24ForceTuner

◆ fieldForceTuner

◆ forceTuner

◆ lattice

◆ J

◆ sim