Description

Declares a function that makes the list of links between atoms connected by bonded interactions.

Classes
class	gmx::ArrayRef< typename >
	STL-like interface to a C array of T (or part of a std container of T). More...

Functions
void	makeBondedLinks (gmx_domdec_t *dd, const gmx_mtop_t &mtop, gmx::ArrayRef< gmx::AtomInfoWithinMoleculeBlock > atomInfoForEachMoleculeBlock)
	Generate a list of links between atoms that are linked by bonded interactions. More...

Function Documentation

void makeBondedLinks	(	gmx_domdec_t *	dd,
		const gmx_mtop_t &	mtop,
		gmx::ArrayRef< gmx::AtomInfoWithinMoleculeBlock >	atomInfoForEachMoleculeBlock
	)

Generate a list of links between atoms that are linked by bonded interactions.

Also stores whether atoms are linked in atomInfoForEachMoleculeBlock.