peclet::voro::energy Namespace Reference

Namespaces
namespace	detail

Functions
template<class Real , class Policy = Voronoi, class Sdf = NoSdf>
Real	interfaceEnergyForce (const TessellationView< Real > &view, const Kokkos::View< int *, peclet::core::MemSpace > &types, const Kokkos::View< Real *, peclet::core::MemSpace > &tension, int nTypes, const Kokkos::View< Real *, peclet::core::MemSpace > &pos, const Kokkos::View< Real *, peclet::core::MemSpace > &weight, Real L, const Kokkos::View< Real *, peclet::core::MemSpace > &force, const Kokkos::View< Real *, peclet::core::MemSpace > &forceW={}, const Sdf &sdf=Sdf{})
template<class Real >
void	cellCentroids (const TessellationView< Real > &view, const Kokkos::View< Real *, peclet::core::MemSpace > &pos, const Kokkos::View< Real *, peclet::core::MemSpace > &out)
	Cell centroids (3N, world = seed + relative) from the facet CSR. pos supplies the seeds.
template<class Real >
Real	lloydEnergyForce (const TessellationView< Real > &view, const Kokkos::View< Real *, peclet::core::MemSpace > &pos, Real gamma, const Kokkos::View< Real *, peclet::core::MemSpace > &force)
template<class Real , class Policy = Voronoi, class Sdf = NoSdf>
Real	facetTensionEnergyForce (const TessellationView< Real > &view, Real sigma, const Kokkos::View< Real *, peclet::core::MemSpace > &pos, const Kokkos::View< Real *, peclet::core::MemSpace > &weight, Real L, const Kokkos::View< Real *, peclet::core::MemSpace > &force, const Kokkos::View< Real *, peclet::core::MemSpace > &forceW={}, const Sdf &sdf=Sdf{})
template<class Real >
KOKKOS_INLINE_FUNCTION Real	dTargetVolume (Real V, Real Vref)
	e(V) = (V/Vref − 1)²: e' = 2 (V/Vref − 1)/Vref.
template<class Real >
KOKKOS_INLINE_FUNCTION Real	dLogBarrier (Real V, Real mu)
	e(V) = −μ log(V/Vref) (log-barrier against collapse): e' = −μ/V.
template<class Real >
KOKKOS_INLINE_FUNCTION Real	dFreeEnergy (Real V, Real Vref)
	e(V) = −Vref log V (ideal-gas free energy; equilibrium at equal pressure Vref/V): e' = −Vref/V.
template<class Real , class Policy = Voronoi, class Sdf = NoSdf>
void	volumeGradientForce (const TessellationView< Real > &view, const Kokkos::View< Real *, peclet::core::MemSpace > &dEdV, const Kokkos::View< Real *, peclet::core::MemSpace > &pos, const Kokkos::View< Real *, peclet::core::MemSpace > &weight, Real L, const Kokkos::View< Real *, peclet::core::MemSpace > &force, const Kokkos::View< Real *, peclet::core::MemSpace > &forceW={}, const Sdf &sdf=Sdf{})
template<class Real , class Policy = Voronoi, class Sdf = NoSdf>
Real	wallEnergyForce (const TessellationView< Real > &view, const Kokkos::View< int *, peclet::core::MemSpace > &types, const Kokkos::View< Real *, peclet::core::MemSpace > &sigmaS, const Sdf &sdf, const Kokkos::View< Real *, peclet::core::MemSpace > &pos, const Kokkos::View< Real *, peclet::core::MemSpace > &weight, Real L, const Kokkos::View< Real *, peclet::core::MemSpace > &force, const Kokkos::View< Real *, peclet::core::MemSpace > &forceW={})

Function Documentation

cellCentroids()

template<class Real >

void peclet::voro::energy::cellCentroids	(	const TessellationView< Real > &	view,
		const Kokkos::View< Real *, peclet::core::MemSpace > &	pos,
		const Kokkos::View< Real *, peclet::core::MemSpace > &	out
	)

Cell centroids (3N, world = seed + relative) from the facet CSR. pos supplies the seeds.

dFreeEnergy()

template<class Real >

KOKKOS_INLINE_FUNCTION Real peclet::voro::energy::dFreeEnergy	(	Real	V,
		Real	Vref
	)

e(V) = −Vref log V (ideal-gas free energy; equilibrium at equal pressure Vref/V): e' = −Vref/V.

dLogBarrier()

template<class Real >

KOKKOS_INLINE_FUNCTION Real peclet::voro::energy::dLogBarrier	(	Real	V,
		Real	mu
	)

e(V) = −μ log(V/Vref) (log-barrier against collapse): e' = −μ/V.

dTargetVolume()

template<class Real >

KOKKOS_INLINE_FUNCTION Real peclet::voro::energy::dTargetVolume	(	Real	V,
		Real	Vref
	)

e(V) = (V/Vref − 1)²: e' = 2 (V/Vref − 1)/Vref.

facetTensionEnergyForce()

template<class Real , class Policy = Voronoi, class Sdf = NoSdf>

Real peclet::voro::energy::facetTensionEnergyForce	(	const TessellationView< Real > &	view,
		Real	sigma,
		const Kokkos::View< Real *, peclet::core::MemSpace > &	pos,
		const Kokkos::View< Real *, peclet::core::MemSpace > &	weight,
		Real	L,
		const Kokkos::View< Real *, peclet::core::MemSpace > &	force,
		const Kokkos::View< Real *, peclet::core::MemSpace > &	forceW = {},
		const Sdf &	sdf = Sdf{}
	)

interfaceEnergyForce()

template<class Real , class Policy = Voronoi, class Sdf = NoSdf>

Real peclet::voro::energy::interfaceEnergyForce	(	const TessellationView< Real > &	view,
		const Kokkos::View< int *, peclet::core::MemSpace > &	types,
		const Kokkos::View< Real *, peclet::core::MemSpace > &	tension,
		int	nTypes,
		const Kokkos::View< Real *, peclet::core::MemSpace > &	pos,
		const Kokkos::View< Real *, peclet::core::MemSpace > &	weight,
		Real	L,
		const Kokkos::View< Real *, peclet::core::MemSpace > &	force,
		const Kokkos::View< Real *, peclet::core::MemSpace > &	forceW = {},
		const Sdf &	sdf = Sdf{}
	)

Interfacial energy + gradient. types per cell (N), tension nTypes×nTypes. Adds dE/dx into force (3N) and dE/dw into forceW (N; only under a weighted policy). Returns E. The view must carry the area-Jacobian CSR (build with withAreaGrad = true).

lloydEnergyForce()

template<class Real >

Real peclet::voro::energy::lloydEnergyForce	(	const TessellationView< Real > &	view,
		const Kokkos::View< Real *, peclet::core::MemSpace > &	pos,
		Real	gamma,
		const Kokkos::View< Real *, peclet::core::MemSpace > &	force
	)

Lloyd energy gradient dE/dx = 2 V_i (x_i − c_i) added into force (3N); returns E when the view carries facet second moments (withMoments), else −1 (gradient only).

volumeGradientForce()

template<class Real , class Policy = Voronoi, class Sdf = NoSdf>

void peclet::voro::energy::volumeGradientForce	(	const TessellationView< Real > &	view,
		const Kokkos::View< Real *, peclet::core::MemSpace > &	dEdV,
		const Kokkos::View< Real *, peclet::core::MemSpace > &	pos,
		const Kokkos::View< Real *, peclet::core::MemSpace > &	weight,
		Real	L,
		const Kokkos::View< Real *, peclet::core::MemSpace > &	force,
		const Kokkos::View< Real *, peclet::core::MemSpace > &	forceW = {},
		const Sdf &	sdf = Sdf{}
	)

Gradient of Σ_i e_i(V_i) for a caller-supplied e'(V_i) per cell (dEdV, N). Adds into force / forceW. (The energy value itself is the caller's Σ e_i — it needs no geometry.)

wallEnergyForce()

template<class Real , class Policy = Voronoi, class Sdf = NoSdf>

Real peclet::voro::energy::wallEnergyForce	(	const TessellationView< Real > &	view,
		const Kokkos::View< int *, peclet::core::MemSpace > &	types,
		const Kokkos::View< Real *, peclet::core::MemSpace > &	sigmaS,
		const Sdf &	sdf,
		const Kokkos::View< Real *, peclet::core::MemSpace > &	pos,
		const Kokkos::View< Real *, peclet::core::MemSpace > &	weight,
		Real	L,
		const Kokkos::View< Real *, peclet::core::MemSpace > &	force,
		const Kokkos::View< Real *, peclet::core::MemSpace > &	forceW = {}
	)

Solid–fluid (wetting) energy E = Σ_c σ_s(t_c) Σ_{wall facets f of c} |A_f| over the published view, with a PER-SPECIES wall tension σ_s(t) (sigmaS, nTypes; types per cell). A uniform σ_s on a closed wall is a constant (the wall is tiled by the wall facets), so only the difference between species does work — Young's angle emerges from σ_sg − σ_sl (plan D2). Needs the facet-edge area-Jacobian CSR (build with withAreaGrad). Adds dE/dx (and dE/dw under a weighted policy) into force / forceW. Returns E.