Gromacs
2020.4
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#include "gromacs/utility/arrayref.h"
Declares gmx::LocalAtomSet.
Classes | |
class | gmx::LocalAtomSet |
A local atom set collects local, global and collective indices of the home atoms on a rank. The indices of the home atoms are automatically updated during domain decomposition, thus gmx::LocalAtomSet::localIndex enables iteration over local atoms properties like coordinates or forces. TODO: add a LocalAtomSet iterator. More... | |