Gromacs
2024.4
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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... | |
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
.