mrmd::communication Namespace Reference

Namespaces
namespace	impl

Classes
class	GhostLayer
class	MultiResGhostLayer

Functions
void	realAtomsExchange (const data::Subdomain &subdomain, const data::Molecules &molecules, const data::Atoms &atoms)
	Intended for single process use.

Function Documentation

realAtomsExchange()

void mrmd::communication::realAtomsExchange	(	const data::Subdomain &	subdomain,
		const data::Molecules &	molecules,
		const data::Atoms &	atoms
	)

Intended for single process use.

Maps atoms that went out of the domain back in a periodic fashion. Mapping is done based on molecule position and atoms are moved according to their molecule.

Precondition

Atom position is at most one periodic copy away from the subdomain.

Postcondition

Atom position lies within half-open interval [min, max) for all coordinate dimensions.