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Classes | Functions
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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.