autopas::generators::FCCGenerator Namespace Reference

Generator for an face-centered cubic (FCC) particle grid. More...

Functions
size_t	getNumberOfParticles (const std::array< double, 3 > &boxMin, const std::array< double, 3 > &boxMax, const double spacing=1.0, const bool centeredAlignment=false)
	Calculates the number of particles generated in an FCC lattice within [boxMin, boxMax) in O(1) time.
template<class Container >
void	fillWithParticles (Container &container, const std::array< double, 3 > &boxMin, const std::array< double, 3 > &boxMax, const typename autopas::utils::ParticleTypeTrait< Container >::value &defaultParticle=typename autopas::utils::ParticleTypeTrait< Container >::value(), const double spacing=1.0, const bool centeredAlignment=false)
	Fills any container with particles arranged in a conventional Face-Centered Cubic (FCC) lattice.

Variables
constexpr std::array< std::array< double, 3 >, 4 >	fccBasis
	Basis coordinates for conventional cubic FCC unit cell normalized by lattice constant a.

Detailed Description

Generator for an face-centered cubic (FCC) particle grid.

Function Documentation

fillWithParticles()

template<class Container >

void autopas::generators::FCCGenerator::fillWithParticles	(	Container &	container,
		const std::array< double, 3 > &	boxMin,
		const std::array< double, 3 > &	boxMax,
		const typename autopas::utils::ParticleTypeTrait< Container >::value &	defaultParticle = typename autopas::utils::ParticleTypeTrait<Container>::value(),
		const double	spacing = 1.0,
		const bool	centeredAlignment = false
	)

Fills any container with particles arranged in a conventional Face-Centered Cubic (FCC) lattice.

Particle IDs start from the default particle.

Template Parameters

Container

Arbitrary container class that supports addParticle().

Parameters

container
boxMin
boxMax
defaultParticle	Blueprint particle.
spacing	Nearest-neighbor distance d.
centeredAlignment	If true, the cell offset moved inward by 1/4 * lattice constant.

getNumberOfParticles()

size_t autopas::generators::FCCGenerator::getNumberOfParticles ( const std::array< double, 3 > &  boxMin, const std::array< double, 3 > &  boxMax, const double  spacing = 1.0, const bool  centeredAlignment = false  )

inline

Calculates the number of particles generated in an FCC lattice within [boxMin, boxMax) in O(1) time.

Parameters

boxMin
boxMax
spacing	Nearest-neighbor distance d.
centeredAlignment	If true, the cell offset moved inward by 1/4 * lattice constant.

Returns

Number of particles.

Variable Documentation

fccBasis

constexpr std::array<std::array<double, 3>, 4> autopas::generators::FCCGenerator::fccBasis

inlineconstexpr

Initial value:

= {{
    {0.0, 0.0, 0.0},
    {0.5, 0.5, 0.0},
    {0.5, 0.0, 0.5},
    {0.0, 0.5, 0.5},
}}

Basis coordinates for conventional cubic FCC unit cell normalized by lattice constant a.