Contains CUDA Device code. More...

Functions
void	setMPCParticleCountSymbol (const unsigned int count)
	Sets the symbol mpcParticleCount. More...

__global__ void	computeLogicalEntityCentersOfMass (const unsigned int workUnitOffset, const MPCParticlePositionType const positions, const unsigned int numberOfLogicalEntities, const unsigned int particlesPerLogicalEntity, MPCParticlePositionType const output)
	Computes the center of mass of logical entities, where each logical entity has a common number of constituent particles, each having the same mass. More...

void	getCenterOfMassVelocities_chain (const unsigned int mpcParticleCount, const unsigned int chainLength, const MPCParticleVelocityType const velocities, MPCParticleVelocityType const comVelocities)
	Saves the center-of-mass velocities of the MPC fluid's chains to the given buffer. More...

__global__ void	getCenterOfMassVelocities_chain_kernel (const unsigned int workUnitOffset, const unsigned int chainLength, const MPCParticleVelocityType const velocities, MPCParticleVelocityType const comVelocities)
	Saves the center-of-mass velocities of the MPC fluid's chains to the given buffer. More...

__device__ Vector3D< MPCParticleVelocityType >	getCenterOfMassVelocity_chain (const unsigned int chainID, const unsigned int chainLength, const MPCParticleVelocityType *const velocities)
	Returns the center-of-mass velocity of for the given chain. More...

void	getCenterOfMassVelocities_doublet (const unsigned int mpcParticleCount, const MPCParticleVelocityType const velocities, MPCParticleVelocityType const comVelocities)
	Saves the center-of-mass velocities of the MPC fluid's doublets to the given buffer. More...

__global__ void	getCenterOfMassVelocities_doublet_kernel (const unsigned int workUnitOffset, const MPCParticleVelocityType const velocities, MPCParticleVelocityType const comVelocities)
	Saves the center-of-mass velocities of the MPC fluid's doublets to the given buffer. More...

__device__ Vector3D< MPCParticleVelocityType >	getCenterOfMassVelocity_doublet (const unsigned int doubletID, const MPCParticleVelocityType *const velocities)
	Returns the center-of-mass velocity of for the given doublet. More...

__device__ void	streamGaussianChainVelocityVerlet (const unsigned int particle1ID, MPCParticlePositionType const positions, MPCParticleVelocityType const velocities, FP *const accelerationBuffer, const unsigned int particlesPerChain, const FP reducedSpringConstant, const FP timestep, const unsigned int stepCount)
	Streams the given Gaussian Chain by applying the velocity-Verlet algorithm. More...

__global__ void	streamGaussianChainsVelocityVerlet (const unsigned int workUnitOffset, MPCParticlePositionType const positions, MPCParticleVelocityType const velocities, FP *const accelerationBuffer, const unsigned int particlesPerChain, const FP reducedSpringConstant, const FP timestep, const unsigned int stepCount)
	Streams the dumbbells by applying the velocity-Verlet algorithm. More...

const __device__ Vector3D< FP >	getAccelerationGaussianChainVelocityVerlet (MPCParticlePositionType *const positions, const unsigned int firstParticleID, const unsigned int particleID, const unsigned int lastParticleID, const FP reducedSpringConstant, const FP timestep)
	Computes the acceleration experienced by the given particle in the Gaussian Chain. More...

void	setGaussianDumbbellSymbols (const FP omega_, const FP timestep)
	Sets the constant symbols. More...

__device__ void	streamDumbbellAnalytically (const unsigned int particle1ID, MPCParticlePositionType const positions, MPCParticleVelocityType const velocities)
	Streams the given dumbbell by applying the analytical solution of the equations of motion. More...

__global__ void	streamDumbbellsAnalytically (const unsigned int workUnitOffset, MPCParticlePositionType const positions, MPCParticleVelocityType const velocities)
	Streams the dumbbells by applying the analytical solution of the equations of motion. More...

__device__ void	streamDumbbellVelocityVerlet (const unsigned int particle1ID, MPCParticlePositionType const positions, MPCParticleVelocityType const velocities, const FP reducedSpringConstant, const FP timestep, const unsigned int stepCount)
	Streams the given dumbbell by applying the velocity-Verlet algorithm. More...

__global__ void	streamDumbbellsVelocityVerlet (const unsigned int workUnitOffset, MPCParticlePositionType const positions, MPCParticleVelocityType const velocities, const FP reducedSpringConstant, const FP timestep, const unsigned int stepCount)
	Streams the dumbbells by applying the velocity-Verlet algorithm. More...

__device__ void	streamGaussianRodVelocityVerlet (const unsigned int particle1ID, MPCParticlePositionType const positions, MPCParticleVelocityType const velocities, const FP meanBondLength, const FP reducedSpringConstant, const FP timestep, const unsigned int stepCount)
	Streams the given Gaussian Rod by applying the velocity-Verlet algorithm. More...

__global__ void	streamGaussianRodsVelocityVerlet (const unsigned int workUnitOffset, MPCParticlePositionType const positions, MPCParticleVelocityType const velocities, const FP meanBondLength, const FP reducedSpringConstant, const FP timestep, const unsigned int stepCount)
	Streams the dumbbells by applying the velocity-Verlet algorithm. More...

__global__ void	streamHarmonicTrimerVelocityVerlet (const unsigned int workUnitOffset, MPCParticlePositionType const positions, MPCParticleVelocityType const velocities, const FP reducedSpringConstant1, const FP reducedSpringConstant2, const FP timestep, const unsigned int stepCount)
	Streams the given trimer via velocity-Verlet integration. More...

__global__ void	streamSimpleMPCParticle (const unsigned int workUnitOffset, MPCParticlePositionType const positions, const MPCParticleVelocityType const velocities)
	Streams the given simple, independent MPC particle. More...

void	getCenterOfMassVelocities_triplet (const unsigned int mpcParticleCount, const MPCParticleVelocityType const velocities, MPCParticleVelocityType const comVelocities)
	Saves the center-of-mass velocities of the MPC fluid's triplets to the given buffer. More...

__global__ void	getCenterOfMassVelocities_triplet_kernel (const unsigned int workUnitOffset, const MPCParticleVelocityType const velocities, MPCParticleVelocityType const comVelocities)
	Saves the center-of-mass velocities of the MPC fluid's triplets to the given buffer. More...

__device__ Vector3D< MPCParticleVelocityType >	getCenterOfMassVelocity_triplet (const unsigned int tripletID, const MPCParticleVelocityType *const velocities)
	Returns the center-of-mass velocity of for the given triplet. More...

const Vector3D< std::complex< MPCParticleVelocityType > >	calculateVelocityInFourierSpace_simpleMPCFluid (const unsigned int particleCount, const MPCParticlePositionType const positions, const MPCParticleVelocityType const velocities, const Vector3D< MPCParticlePositionType > k, MPCParticleVelocityType const buffer1, MPCParticleVelocityType const buffer2)
	Calculates the velocity in Fourier space, assuming a simple MPC fluid. More...

__global__ void	calculateVelocityInFourierSpace_simpleMPCFluid_single (const unsigned int workUnitOffset, const MPCParticlePositionType const positions, const MPCParticleVelocityType const velocities, const Vector3D< MPCParticlePositionType > k, MPCParticleVelocityType const realBuffer, MPCParticleVelocityType const imaginaryBuffer)
	Device function for calculation of summands of the real and imaginary part of the velocity in Fourier space, assuming a simple MPC fluid. More...

const Vector3D< std::complex< MPCParticleVelocityType > >	calculateVelocityInFourierSpace_doubletMPCFluid (const unsigned int doubletCount, const MPCParticlePositionType const positions, const MPCParticleVelocityType const velocities, const Vector3D< MPCParticlePositionType > k, MPCParticleVelocityType const buffer1, MPCParticleVelocityType const buffer2)
	Calculates the velocity in Fourier space, assuming an MPC fluid consisting of pairs of MPC particles. More...

__global__ void	calculateVelocityInFourierSpace_doubletMPCFluid_single (const unsigned int workUnitOffset, const MPCParticlePositionType const positions, const MPCParticleVelocityType const velocities, const Vector3D< MPCParticlePositionType > k, MPCParticleVelocityType const realBuffer, MPCParticleVelocityType const imaginaryBuffer)
	Device function for calculation of summands of the real and imaginary part of the velocity in Fourier space, assuming an MPC fluid consisting of pairs of MPC particles. More...

const Vector3D< std::complex< MPCParticleVelocityType > >	calculateVelocityInFourierSpace_tripletMPCFluid (const unsigned int tripletCount, const MPCParticlePositionType const positions, const MPCParticleVelocityType const velocities, const Vector3D< MPCParticlePositionType > k, MPCParticleVelocityType const buffer1, MPCParticleVelocityType const buffer2)
	Calculates the velocity in Fourier space, assuming an MPC fluid consisting of triplets of MPC particles. More...

__global__ void	calculateVelocityInFourierSpace_tripletMPCFluid_single (const unsigned int workUnitOffset, const MPCParticlePositionType const positions, const MPCParticleVelocityType const velocities, const Vector3D< MPCParticlePositionType > k, MPCParticleVelocityType const realBuffer, MPCParticleVelocityType const imaginaryBuffer)
	Device function for calculation of summands of the real and imaginary part of the velocity in Fourier space, assuming an MPC fluid consisting of triplets of MPC particles. More...

const Vector3D< std::complex< MPCParticleVelocityType > >	calculateVelocityInFourierSpace_chainMPCFluid (const unsigned int chainCount, const unsigned int chainLength, const MPCParticlePositionType const positions, const MPCParticleVelocityType const velocities, const Vector3D< MPCParticlePositionType > k, MPCParticleVelocityType const buffer1, MPCParticleVelocityType const buffer2)
	Calculates the velocity in Fourier space, assuming an MPC fluid consisting of chains of MPC particles. More...

__global__ void	calculateVelocityInFourierSpace_chainMPCFluid_single (const unsigned int workUnitOffset, const unsigned int chainLength, const MPCParticlePositionType const positions, const MPCParticleVelocityType const velocities, const Vector3D< MPCParticlePositionType > k, MPCParticleVelocityType const realBuffer, MPCParticleVelocityType const imaginaryBuffer)
	Device function for calculation of summands of the real and imaginary part of the velocity in Fourier space, assuming an MPC fluid consisting of chains of MPC particles. More...

const Vector3D< std::complex< MPCParticleVelocityType > >	reduceVelocityInFourierSpaceBuffers (const unsigned int summandCount, MPCParticleVelocityType const realBuffer, MPCParticleVelocityType const imaginaryBuffer)
	Reduces the calculated summands of the velocity in Fourier space. More...

Variables
__constant__ unsigned int	mpcParticleCount
	The number of MPC fluid particles. More...

__constant__ FP	omega

__constant__ FP	cos_omegaTimesTimestep

__constant__ FP	sin_omegaTimesTimestep

Detailed Description

Contains CUDA Device code.

Function Documentation

◆ calculateVelocityInFourierSpace_chainMPCFluid()

const Vector3D<std::complex<MPCParticleVelocityType> > OpenMPCD::CUDA::MPCFluid::DeviceCode::calculateVelocityInFourierSpace_chainMPCFluid	(	const unsigned int	chainCount,
		const unsigned int	chainLength,
		const MPCParticlePositionType *const	positions,
		const MPCParticleVelocityType *const	velocities,
		const Vector3D< MPCParticlePositionType >	k,
		MPCParticleVelocityType *const	buffer1,
		MPCParticleVelocityType *const	buffer2
	)

Calculates the velocity in Fourier space, assuming an MPC fluid consisting of chains of MPC particles.

See Velocity in Fourier Space

Parameters

[in]	chainCount	The number of MPC particle chains in the fluid.
[in]	chainLength	The number of MPC fluid particles in a chain.
[in]	positions	The array of MPC fluid particle positions.
[in]	velocities	The array of MPC fluid particle velocities.
[in]	k	The \(\vec{k}\) vector.
[out]	buffer1	A Device buffer that holds at least `3chainCountsizeof(MPCParticleVelocityType)` bytes.
[out]	buffer2	A Device buffer that holds at least `3chainCountsizeof(MPCParticleVelocityType)` bytes.

◆ calculateVelocityInFourierSpace_chainMPCFluid_single()

__global__ void OpenMPCD::CUDA::MPCFluid::DeviceCode::calculateVelocityInFourierSpace_chainMPCFluid_single	(	const unsigned int	workUnitOffset,
		const unsigned int	chainLength,
		const MPCParticlePositionType *const	positions,
		const MPCParticleVelocityType *const	velocities,
		const Vector3D< MPCParticlePositionType >	k,
		MPCParticleVelocityType *const	realBuffer,
		MPCParticleVelocityType *const	imaginaryBuffer
	)

Device function for calculation of summands of the real and imaginary part of the velocity in Fourier space, assuming an MPC fluid consisting of chains of MPC particles.

Remarks: This function is not intended to be called directly by the user. Instead, call calculateVelocityInFourierSpace_chainMPCFluid().

See Velocity in Fourier Space

Parameters

[in]	workUnitOffset	The number of MPC particle chains to skip.
[in]	chainLength	The number of MPC fluid particles in a chain.
[in]	positions	The device array of MPC fluid particle positions.
[in]	velocities	The device array of MPC fluid particle velocities.
[in]	k	The \(\vec{k}\) vector.
[out]	realBuffer	A Device buffer that holds at least `3tripletCountsizeof(MPCParticleVelocityType)` bytes, used to store the real parts of the summands.
[out]	imaginaryBuffer	A Device buffer that holds at least `3tripletCountsizeof(MPCParticleVelocityType)` bytes, used to store the imaginary parts of the summands.

◆ calculateVelocityInFourierSpace_doubletMPCFluid()

const Vector3D<std::complex<MPCParticleVelocityType> > OpenMPCD::CUDA::MPCFluid::DeviceCode::calculateVelocityInFourierSpace_doubletMPCFluid	(	const unsigned int	doubletCount,
		const MPCParticlePositionType *const	positions,
		const MPCParticleVelocityType *const	velocities,
		const Vector3D< MPCParticlePositionType >	k,
		MPCParticleVelocityType *const	buffer1,
		MPCParticleVelocityType *const	buffer2
	)

Calculates the velocity in Fourier space, assuming an MPC fluid consisting of pairs of MPC particles.

See Velocity in Fourier Space

Parameters

[in]	doubletCount	The number of MPC particle doublets in the fluid.
[in]	positions	The array of MPC fluid particle positions.
[in]	velocities	The array of MPC fluid particle velocities.
[in]	k	The \(\vec{k}\) vector.
[out]	buffer1	A Device buffer that holds at least `3doubletCountsizeof(MPCParticleVelocityType)` bytes.
[out]	buffer2	A Device buffer that holds at least `3doubletCountsizeof(MPCParticleVelocityType)` bytes.

◆ calculateVelocityInFourierSpace_doubletMPCFluid_single()

__global__ void OpenMPCD::CUDA::MPCFluid::DeviceCode::calculateVelocityInFourierSpace_doubletMPCFluid_single	(	const unsigned int	workUnitOffset,
		const MPCParticlePositionType *const	positions,
		const MPCParticleVelocityType *const	velocities,
		const Vector3D< MPCParticlePositionType >	k,
		MPCParticleVelocityType *const	realBuffer,
		MPCParticleVelocityType *const	imaginaryBuffer
	)

Device function for calculation of summands of the real and imaginary part of the velocity in Fourier space, assuming an MPC fluid consisting of pairs of MPC particles.

Remarks: This function is not intended to be called directly by the user. Instead, call calculateVelocityInFourierSpace_doubletMPCFluid().

See Velocity in Fourier Space

Parameters

[in]	workUnitOffset	The number of MPC particle doublets to skip.
[in]	positions	The device array of MPC fluid particle positions.
[in]	velocities	The device array of MPC fluid particle velocities.
[in]	k	The \(\vec{k}\) vector.
[out]	realBuffer	A Device buffer that holds at least `3doubletCountsizeof(MPCParticleVelocityType)` bytes, used to store the real parts of the summands.
[out]	imaginaryBuffer	A Device buffer that holds at least `3doubletCountsizeof(MPCParticleVelocityType)` bytes, used to store the imaginary parts of the summands.

◆ calculateVelocityInFourierSpace_simpleMPCFluid()

const Vector3D<std::complex<MPCParticleVelocityType> > OpenMPCD::CUDA::MPCFluid::DeviceCode::calculateVelocityInFourierSpace_simpleMPCFluid	(	const unsigned int	particleCount,
		const MPCParticlePositionType *const	positions,
		const MPCParticleVelocityType *const	velocities,
		const Vector3D< MPCParticlePositionType >	k,
		MPCParticleVelocityType *const	buffer1,
		MPCParticleVelocityType *const	buffer2
	)

Calculates the velocity in Fourier space, assuming a simple MPC fluid.

See Velocity in Fourier Space

Parameters

[in]	particleCount	The number of MPC particles in the fluid.
[in]	positions	The array of MPC fluid particle positions.
[in]	velocities	The array of MPC fluid particle velocities.
[in]	k	The \(\vec{k}\) vector.
[out]	buffer1	A Device buffer that holds at least `3numberOfConstituentssizeof(MPCParticleVelocityType)` bytes.
[out]	buffer2	A Device buffer that holds at least `3numberOfConstituentssizeof(MPCParticleVelocityType)` bytes.

◆ calculateVelocityInFourierSpace_simpleMPCFluid_single()

__global__ void OpenMPCD::CUDA::MPCFluid::DeviceCode::calculateVelocityInFourierSpace_simpleMPCFluid_single	(	const unsigned int	workUnitOffset,
		const MPCParticlePositionType *const	positions,
		const MPCParticleVelocityType *const	velocities,
		const Vector3D< MPCParticlePositionType >	k,
		MPCParticleVelocityType *const	realBuffer,
		MPCParticleVelocityType *const	imaginaryBuffer
	)

Device function for calculation of summands of the real and imaginary part of the velocity in Fourier space, assuming a simple MPC fluid.

Remarks: This function is not intended to be called directly by the user. Instead, call calculateVelocityInFourierSpace_simpleMPCFluid().

See Velocity in Fourier Space

Parameters

[in]	workUnitOffset	The number of particles to skip.
[in]	positions	The device array of MPC fluid particle positions.
[in]	velocities	The device array of MPC fluid particle velocities.
[in]	k	The \(\vec{k}\) vector.
[out]	realBuffer	A Device buffer that holds at least `3numberOfConstituentssizeof(MPCParticleVelocityType)` bytes, used to store the real parts of the summands.
[out]	imaginaryBuffer	A Device buffer that holds at least `3numberOfConstituentssizeof(MPCParticleVelocityType)` bytes, used to store the imaginary parts of the summands.

◆ calculateVelocityInFourierSpace_tripletMPCFluid()

const Vector3D<std::complex<MPCParticleVelocityType> > OpenMPCD::CUDA::MPCFluid::DeviceCode::calculateVelocityInFourierSpace_tripletMPCFluid	(	const unsigned int	tripletCount,
		const MPCParticlePositionType *const	positions,
		const MPCParticleVelocityType *const	velocities,
		const Vector3D< MPCParticlePositionType >	k,
		MPCParticleVelocityType *const	buffer1,
		MPCParticleVelocityType *const	buffer2
	)

Calculates the velocity in Fourier space, assuming an MPC fluid consisting of triplets of MPC particles.

See Velocity in Fourier Space

Parameters

[in]	tripletCount	The number of MPC particle triplets in the fluid.
[in]	positions	The array of MPC fluid particle positions.
[in]	velocities	The array of MPC fluid particle velocities.
[in]	k	The \(\vec{k}\) vector.
[out]	buffer1	A Device buffer that holds at least `3tripletCountsizeof(MPCParticleVelocityType)` bytes.
[out]	buffer2	A Device buffer that holds at least `3tripletCountsizeof(MPCParticleVelocityType)` bytes.

◆ calculateVelocityInFourierSpace_tripletMPCFluid_single()

__global__ void OpenMPCD::CUDA::MPCFluid::DeviceCode::calculateVelocityInFourierSpace_tripletMPCFluid_single	(	const unsigned int	workUnitOffset,
		const MPCParticlePositionType *const	positions,
		const MPCParticleVelocityType *const	velocities,
		const Vector3D< MPCParticlePositionType >	k,
		MPCParticleVelocityType *const	realBuffer,
		MPCParticleVelocityType *const	imaginaryBuffer
	)

Device function for calculation of summands of the real and imaginary part of the velocity in Fourier space, assuming an MPC fluid consisting of triplets of MPC particles.

Remarks: This function is not intended to be called directly by the user. Instead, call calculateVelocityInFourierSpace_tripletMPCFluid().

See Velocity in Fourier Space

Parameters

[in]	workUnitOffset	The number of MPC particle triplets to skip.
[in]	positions	The device array of MPC fluid particle positions.
[in]	velocities	The device array of MPC fluid particle velocities.
[in]	k	The \(\vec{k}\) vector.
[out]	realBuffer	A Device buffer that holds at least `3tripletCountsizeof(MPCParticleVelocityType)` bytes, used to store the real parts of the summands.
[out]	imaginaryBuffer	A Device buffer that holds at least `3tripletCountsizeof(MPCParticleVelocityType)` bytes, used to store the imaginary parts of the summands.

◆ computeLogicalEntityCentersOfMass()

__global__ void OpenMPCD::CUDA::MPCFluid::DeviceCode::computeLogicalEntityCentersOfMass	(	const unsigned int	workUnitOffset,
		const MPCParticlePositionType *const	positions,
		const unsigned int	numberOfLogicalEntities,
		const unsigned int	particlesPerLogicalEntity,
		MPCParticlePositionType *const	output
	)

Computes the center of mass of logical entities, where each logical entity has a common number of constituent particles, each having the same mass.

Each thread of this kernel computes one center of mass.

Parameters

[in]	workUnitOffset	The number of entities to skip; this is useful in case all entities cannot fit in one single kernel call.
[in]	positions	The positions of the individual constituent particles, stored on the CUDA Device. It is assumed that first, the `x` coordinate of the first constituent particle of the first logical entity is stored, then its `y` and `z` coordinates; after that, the coordinates of the second constituent of the first logical entity, and so forth; after the last constituent of the first logical entity, the constituents of the second logical entity follow. In total, `positions` must hold at least `3 * particlesPerLogicalEntity * numberOfLogicalEntities` elements.
[in]	numberOfLogicalEntities	The number of logical entities to treat.
[in]	particlesPerLogicalEntity	The number of MPC particles per logical entity, which must not be `0`.
[out]	output	The CUDA Device buffer to save the coordinates to. It must be able to hold at least `3 * numberOfLogicalEntities` elements. The first element in the buffer will be the `x` coordinate of the center of mass of the first logical entity, followed by the `y` and `z` coordinates. After that, the second entity's coordinates follow, and so on.

◆ getAccelerationGaussianChainVelocityVerlet()

const __device__ Vector3D<FP> OpenMPCD::CUDA::MPCFluid::DeviceCode::getAccelerationGaussianChainVelocityVerlet	(	MPCParticlePositionType *const	positions,
		const unsigned int	firstParticleID,
		const unsigned int	particleID,
		const unsigned int	lastParticleID,
		const FP	reducedSpringConstant,
		const FP	timestep
	)

Computes the acceleration experienced by the given particle in the Gaussian Chain.

No boundary conditions are considered.

Parameters

[in]	positions	The array of MPC fluid particle positions.
[in]	firstParticleID	The ID of the first particle in the chain.
[in]	particleID	The ID of the particle to get the acceleration for.
[in]	lastParticleID	The ID of the last particle in the chain.
[in]	reducedSpringConstant	The spring constant, divided by the mass of an individual spring constituent particle.
[in]	timestep	The timestep for an individual velocity-Verlet step.

◆ getCenterOfMassVelocities_chain()

void OpenMPCD::CUDA::MPCFluid::DeviceCode::getCenterOfMassVelocities_chain	(	const unsigned int	mpcParticleCount,
		const unsigned int	chainLength,
		const MPCParticleVelocityType *const	velocities,
		MPCParticleVelocityType *const	comVelocities
	)

Saves the center-of-mass velocities of the MPC fluid's chains to the given buffer.

This function assumes that all chains have the same number of particles, and that all particles have the same mass.

This function requires that the OpenMPCD::CUDA::MPCFluid::DeviceCode::mpcParticleCount symbol has been set, and its value is equal to the mpcParticleCount passed to this function.

This function assumes that mpcParticleCount is an integer multiple of chainLength, and assumes both of them to be non-zero.

Parameters

[in]	mpcParticleCount	The number of individual MPC fluid particles.
[in]	chainLength	The number of individual MPC fluid particles per chain.
[in]	velocities	The Device array of MPC fluid particle velocities.
[out]	comVelocities	Device buffer where the center-of-mass velocities are saved.

◆ getCenterOfMassVelocities_chain_kernel()

__global__ void OpenMPCD::CUDA::MPCFluid::DeviceCode::getCenterOfMassVelocities_chain_kernel	(	const unsigned int	workUnitOffset,
		const unsigned int	chainLength,
		const MPCParticleVelocityType *const	velocities,
		MPCParticleVelocityType *const	comVelocities
	)

Saves the center-of-mass velocities of the MPC fluid's chains to the given buffer.

This function assumes that all chains have the same number of particles, and that all particles have the same mass.

This function requires that the OpenMPCD::CUDA::MPCFluid::DeviceCode::mpcParticleCount symbol has been set to a value that is non-zero and an integer multiple of chainLength.

Parameters

[in]	workUnitOffset	The number of chains to skip.
[in]	chainLength	The number of individual MPC fluid particles per chain.
[in]	velocities	The array of MPC fluid particle velocities.
[out]	comVelocities	Buffer where the center-of-mass velocities are saved.

◆ getCenterOfMassVelocities_doublet()

void OpenMPCD::CUDA::MPCFluid::DeviceCode::getCenterOfMassVelocities_doublet	(	const unsigned int	mpcParticleCount,
		const MPCParticleVelocityType *const	velocities,
		MPCParticleVelocityType *const	comVelocities
	)

Saves the center-of-mass velocities of the MPC fluid's doublets to the given buffer.

Parameters

[in]	mpcParticleCount	The number of individual MPC fluid particles.
[in]	velocities	The Device array of MPC fluid particle velocities.
[out]	comVelocities	Device buffer where the center-of-mass velocities are saved.

◆ getCenterOfMassVelocities_doublet_kernel()

__global__ void OpenMPCD::CUDA::MPCFluid::DeviceCode::getCenterOfMassVelocities_doublet_kernel	(	const unsigned int	workUnitOffset,
		const MPCParticleVelocityType *const	velocities,
		MPCParticleVelocityType *const	comVelocities
	)

Saves the center-of-mass velocities of the MPC fluid's doublets to the given buffer.

Parameters

[in]	workUnitOffset	The number of trimers to skip.
[in]	velocities	The array of MPC fluid particle velocities.
[out]	comVelocities	Buffer where the center-of-mass velocities are saved.

◆ getCenterOfMassVelocities_triplet()

void OpenMPCD::CUDA::MPCFluid::DeviceCode::getCenterOfMassVelocities_triplet	(	const unsigned int	mpcParticleCount,
		const MPCParticleVelocityType *const	velocities,
		MPCParticleVelocityType *const	comVelocities
	)

Saves the center-of-mass velocities of the MPC fluid's triplets to the given buffer.

Parameters

[in]	mpcParticleCount	The number of individual MPC fluid particles.
[in]	velocities	The Device array of MPC fluid particle velocities.
[out]	comVelocities	Device buffer where the center-of-mass velocities are saved.

◆ getCenterOfMassVelocities_triplet_kernel()

__global__ void OpenMPCD::CUDA::MPCFluid::DeviceCode::getCenterOfMassVelocities_triplet_kernel	(	const unsigned int	workUnitOffset,
		const MPCParticleVelocityType *const	velocities,
		MPCParticleVelocityType *const	comVelocities
	)

Saves the center-of-mass velocities of the MPC fluid's triplets to the given buffer.

Parameters

[in]	workUnitOffset	The number of trimers to skip.
[in]	velocities	The array of MPC fluid particle velocities.
[out]	comVelocities	Buffer where the center-of-mass velocities are saved.

◆ getCenterOfMassVelocity_chain()

__device__ Vector3D<MPCParticleVelocityType> OpenMPCD::CUDA::MPCFluid::DeviceCode::getCenterOfMassVelocity_chain	(	const unsigned int	chainID,
		const unsigned int	chainLength,
		const MPCParticleVelocityType *const	velocities
	)

Returns the center-of-mass velocity of for the given chain.

This function assumes that all chains have the same number of particles, and that all particles have the same mass.

Parameters

[in]	chainID	The ID of the chain.
[in]	chainLength	The number of individual MPC fluid particles per chain.
[in]	velocities	The array of MPC fluid particle velocities.

◆ getCenterOfMassVelocity_doublet()

__device__ Vector3D<MPCParticleVelocityType> OpenMPCD::CUDA::MPCFluid::DeviceCode::getCenterOfMassVelocity_doublet	(	const unsigned int	doubletID,
		const MPCParticleVelocityType *const	velocities
	)

Returns the center-of-mass velocity of for the given doublet.

This function assumes that both constituents have the same mass.

Parameters

[in]	doubletID	The ID of the doublet.
[in]	velocities	The array of MPC fluid particle velocities.

◆ getCenterOfMassVelocity_triplet()

__device__ Vector3D<MPCParticleVelocityType> OpenMPCD::CUDA::MPCFluid::DeviceCode::getCenterOfMassVelocity_triplet	(	const unsigned int	tripletID,
		const MPCParticleVelocityType *const	velocities
	)

Returns the center-of-mass velocity of for the given triplet.

This function assumes that all three constituents have the same mass.

Parameters

[in]	tripletID	The ID of the triplet.
[in]	velocities	The array of MPC fluid particle velocities.

◆ reduceVelocityInFourierSpaceBuffers()

const Vector3D<std::complex<MPCParticleVelocityType> > OpenMPCD::CUDA::MPCFluid::DeviceCode::reduceVelocityInFourierSpaceBuffers	(	const unsigned int	summandCount,
		MPCParticleVelocityType *const	realBuffer,
		MPCParticleVelocityType *const	imaginaryBuffer
	)

Reduces the calculated summands of the velocity in Fourier space.

Remarks: This function is not intended to be called by the user.

See Velocity in Fourier Space

Parameters

[in]	summandCount	The number of summands.
[in]	realBuffer	Device buffer holding the real parts of the summands.
[in]	imaginaryBuffer	Device buffer holding the imaginary parts of the summands.

Returns: Returns the velocity in Fourier space.

◆ setGaussianDumbbellSymbols()

void OpenMPCD::CUDA::MPCFluid::DeviceCode::setGaussianDumbbellSymbols	(	const FP	omega_,
		const FP	timestep
	)

Sets the constant symbols.

Parameters

[in]	omega_	The omega factor. (see http://dx.doi.org/10.1063/1.4792196)
[in]	timestep	The timestep for the MPC fluid streaming step.

◆ setMPCParticleCountSymbol()

void OpenMPCD::CUDA::MPCFluid::DeviceCode::setMPCParticleCountSymbol ( const unsigned int count )

Sets the symbol mpcParticleCount.

Parameters

[in] count The number of MPC fluid particles.

◆ streamDumbbellAnalytically()

__device__ void OpenMPCD::CUDA::MPCFluid::DeviceCode::streamDumbbellAnalytically	(	const unsigned int	particle1ID,
		MPCParticlePositionType *const	positions,
		MPCParticleVelocityType *const	velocities
	)

Streams the given dumbbell by applying the analytical solution of the equations of motion.

No boundary conditions are considered.

Parameters

[in]	particle1ID	The ID of the first particle; the partner is the one with this ID incremented by 1.
[in,out]	positions	The array of MPC fluid particle positions.
[in,out]	velocities	The array of MPC fluid particle velocities.

◆ streamDumbbellsAnalytically()

__global__ void OpenMPCD::CUDA::MPCFluid::DeviceCode::streamDumbbellsAnalytically	(	const unsigned int	workUnitOffset,
		MPCParticlePositionType *const	positions,
		MPCParticleVelocityType *const	velocities
	)

Streams the dumbbells by applying the analytical solution of the equations of motion.

No boundary conditions are considered.

Parameters

[in]	workUnitOffset	The number of dumbbells to skip.
[in,out]	positions	The array of MPC fluid particle positions.
[in,out]	velocities	The array of MPC fluid particle velocities.

◆ streamDumbbellsVelocityVerlet()

__global__ void OpenMPCD::CUDA::MPCFluid::DeviceCode::streamDumbbellsVelocityVerlet	(	const unsigned int	workUnitOffset,
		MPCParticlePositionType *const	positions,
		MPCParticleVelocityType *const	velocities,
		const FP	reducedSpringConstant,
		const FP	timestep,
		const unsigned int	stepCount
	)

Streams the dumbbells by applying the velocity-Verlet algorithm.

No boundary conditions are considered.

Parameters

[in]	workUnitOffset	The number of dumbbells to skip.
[in,out]	positions	The array of MPC fluid particle positions.
[in,out]	velocities	The array of MPC fluid particle velocities.
[in]	reducedSpringConstant	The spring constant connecting the two dumbbell contituents, divided by the mass of each one constituent.
[in]	timestep	The timestep for an individual velocity-Verlet step.
[in]	stepCount	The number of velocity-Verlet steps to perform.

◆ streamDumbbellVelocityVerlet()

__device__ void OpenMPCD::CUDA::MPCFluid::DeviceCode::streamDumbbellVelocityVerlet	(	const unsigned int	particle1ID,
		MPCParticlePositionType *const	positions,
		MPCParticleVelocityType *const	velocities,
		const FP	reducedSpringConstant,
		const FP	timestep,
		const unsigned int	stepCount
	)

Streams the given dumbbell by applying the velocity-Verlet algorithm.

No boundary conditions are considered.

Parameters

[in]	particle1ID	The ID of the first particle; the partner is the one with this ID incremented by 1.
[in,out]	positions	The array of MPC fluid particle positions.
[in,out]	velocities	The array of MPC fluid particle velocities.
[in]	reducedSpringConstant	The spring constant connecting the two dumbbell contituents, divided by the mass of each one constituent.
[in]	timestep	The timestep for an individual velocity-Verlet step.
[in]	stepCount	The number of velocity-Verlet steps to perform.

◆ streamGaussianChainsVelocityVerlet()

__global__ void OpenMPCD::CUDA::MPCFluid::DeviceCode::streamGaussianChainsVelocityVerlet	(	const unsigned int	workUnitOffset,
		MPCParticlePositionType *const	positions,
		MPCParticleVelocityType *const	velocities,
		FP *const	accelerationBuffer,
		const unsigned int	particlesPerChain,
		const FP	reducedSpringConstant,
		const FP	timestep,
		const unsigned int	stepCount
	)

Streams the dumbbells by applying the velocity-Verlet algorithm.

No boundary conditions are considered.

Parameters

[in]	workUnitOffset	The number of chains to skip.
[in,out]	positions	The array of MPC fluid particle positions.
[in,out]	velocities	The array of MPC fluid particle velocities.
[in,out]	accelerationBuffer	Buffer used to store initial accelerations during the Velocity Verlet integration. This has to have at least as many elements as there are MPC fluid particles.
[in]	particlesPerChain	The number of particles per chain.
[in]	reducedSpringConstant	The spring constant, divided by the mass of an individual spring constituent particle.
[in]	timestep	The timestep for an individual velocity-Verlet step.
[in]	stepCount	The number of velocity-Verlet steps to perform.

◆ streamGaussianChainVelocityVerlet()

__device__ void OpenMPCD::CUDA::MPCFluid::DeviceCode::streamGaussianChainVelocityVerlet	(	const unsigned int	particle1ID,
		MPCParticlePositionType *const	positions,
		MPCParticleVelocityType *const	velocities,
		FP *const	accelerationBuffer,
		const unsigned int	particlesPerChain,
		const FP	reducedSpringConstant,
		const FP	timestep,
		const unsigned int	stepCount
	)

Streams the given Gaussian Chain by applying the velocity-Verlet algorithm.

No boundary conditions are considered.

Parameters

[in]	particle1ID	The ID of the first particle; the partner are obtained by successive incrementing.
[in,out]	positions	The array of MPC fluid particle positions.
[in,out]	velocities	The array of MPC fluid particle velocities.
[in,out]	accelerationBuffer	Buffer used to store initial accelerations during the Velocity Verlet integration. This has to have at least as many elements as there are MPC fluid particles.
[in]	particlesPerChain	The number of particles per chain.
[in]	reducedSpringConstant	The spring constant, divided by the mass of an individual spring constituent particle.
[in]	timestep	The timestep for an individual velocity-Verlet step.
[in]	stepCount	The number of velocity-Verlet steps to perform.

◆ streamGaussianRodsVelocityVerlet()

__global__ void OpenMPCD::CUDA::MPCFluid::DeviceCode::streamGaussianRodsVelocityVerlet	(	const unsigned int	workUnitOffset,
		MPCParticlePositionType *const	positions,
		MPCParticleVelocityType *const	velocities,
		const FP	meanBondLength,
		const FP	reducedSpringConstant,
		const FP	timestep,
		const unsigned int	stepCount
	)

Streams the dumbbells by applying the velocity-Verlet algorithm.

No boundary conditions are considered.

Parameters

[in]	workUnitOffset	The number of dumbbells to skip.
[in,out]	positions	The array of MPC fluid particle positions.
[in,out]	velocities	The array of MPC fluid particle velocities.
[in]	meanBondLength	The mean bond length.
[in]	reducedSpringConstant	The spring constant, divided by the mass of an individual spring constituent particle.
[in]	timestep	The timestep for an individual velocity-Verlet step.
[in]	stepCount	The number of velocity-Verlet steps to perform.

◆ streamGaussianRodVelocityVerlet()

__device__ void OpenMPCD::CUDA::MPCFluid::DeviceCode::streamGaussianRodVelocityVerlet	(	const unsigned int	particle1ID,
		MPCParticlePositionType *const	positions,
		MPCParticleVelocityType *const	velocities,
		const FP	meanBondLength,
		const FP	reducedSpringConstant,
		const FP	timestep,
		const unsigned int	stepCount
	)

Streams the given Gaussian Rod by applying the velocity-Verlet algorithm.

No boundary conditions are considered.

Parameters

[in]	particle1ID	The ID of the first particle; the partner is the one with this ID incremented by 1.
[in,out]	positions	The array of MPC fluid particle positions.
[in,out]	velocities	The array of MPC fluid particle velocities.
[in]	meanBondLength	The mean bond length.
[in]	reducedSpringConstant	The spring constant, divided by the mass of an individual spring constituent particle.
[in]	timestep	The timestep for an individual velocity-Verlet step.
[in]	stepCount	The number of velocity-Verlet steps to perform.

◆ streamHarmonicTrimerVelocityVerlet()

__global__ void OpenMPCD::CUDA::MPCFluid::DeviceCode::streamHarmonicTrimerVelocityVerlet	(	const unsigned int	workUnitOffset,
		MPCParticlePositionType *const	positions,
		MPCParticleVelocityType *const	velocities,
		const FP	reducedSpringConstant1,
		const FP	reducedSpringConstant2,
		const FP	timestep,
		const unsigned int	stepCount
	)

Streams the given trimer via velocity-Verlet integration.

No boundary conditions are considered. This function assumes that the individual particles in the trimer all have mass 1.

Parameters

[in]	workUnitOffset	The number of trimers to skip.
[in,out]	positions	The array of MPC fluid particle positions.
[in,out]	velocities	The array of MPC fluid particle velocities.
[in]	reducedSpringConstant1	The spring constant for the spring between particles 1 and 2, divided by the mass of an individual constituent particle.
[in]	reducedSpringConstant2	The spring constant for the spring between particles 2 and 3, divided by the mass of an individual constituent particle.
[in]	timestep	The timestep for an individual velocity-Verlet step.
[in]	stepCount	The number of velocity-Verlet steps to perform.

◆ streamSimpleMPCParticle()

__global__ void OpenMPCD::CUDA::MPCFluid::DeviceCode::streamSimpleMPCParticle	(	const unsigned int	workUnitOffset,
		MPCParticlePositionType *const	positions,
		const MPCParticleVelocityType *const	velocities
	)

Streams the given simple, independent MPC particle.

No boundary conditions are considered.

Parameters

[in]	workUnitOffset	The number of MPC fluid particles to skip.
[in,out]	positions	The array of MPC fluid particle positions.
[in,out]	velocities	The array of MPC fluid particle velocities.

Variable Documentation

◆ mpcParticleCount

__constant__ unsigned int OpenMPCD::CUDA::MPCFluid::DeviceCode::mpcParticleCount

The number of MPC fluid particles.

Functions

Variables

Detailed Description

Function Documentation

◆ calculateVelocityInFourierSpace_chainMPCFluid()

◆ calculateVelocityInFourierSpace_chainMPCFluid_single()

◆ calculateVelocityInFourierSpace_doubletMPCFluid()

◆ calculateVelocityInFourierSpace_doubletMPCFluid_single()

◆ calculateVelocityInFourierSpace_simpleMPCFluid()

◆ calculateVelocityInFourierSpace_simpleMPCFluid_single()

◆ calculateVelocityInFourierSpace_tripletMPCFluid()

◆ calculateVelocityInFourierSpace_tripletMPCFluid_single()

◆ computeLogicalEntityCentersOfMass()

◆ getAccelerationGaussianChainVelocityVerlet()

◆ getCenterOfMassVelocities_chain()

◆ getCenterOfMassVelocities_chain_kernel()

◆ getCenterOfMassVelocities_doublet()

◆ getCenterOfMassVelocities_doublet_kernel()

◆ getCenterOfMassVelocities_triplet()

◆ getCenterOfMassVelocities_triplet_kernel()

◆ getCenterOfMassVelocity_chain()

◆ getCenterOfMassVelocity_doublet()

◆ getCenterOfMassVelocity_triplet()

◆ reduceVelocityInFourierSpaceBuffers()

◆ setGaussianDumbbellSymbols()

◆ setMPCParticleCountSymbol()

◆ streamDumbbellAnalytically()

◆ streamDumbbellsAnalytically()

◆ streamDumbbellsVelocityVerlet()

◆ streamDumbbellVelocityVerlet()

◆ streamGaussianChainsVelocityVerlet()

◆ streamGaussianChainVelocityVerlet()

◆ streamGaussianRodsVelocityVerlet()

◆ streamGaussianRodVelocityVerlet()

◆ streamHarmonicTrimerVelocityVerlet()

◆ streamSimpleMPCParticle()

Variable Documentation

◆ mpcParticleCount