Gromacs  2020.4
 All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Friends Macros Groups Pages
List of all members | Classes | Public Member Functions

#include <gromacs/domdec/localatomsetmanager.h>

Description

Hands out handles to local atom set indices and triggers index recalculation for all sets upon domain decomposition if run in parallel.

Classes

class  Impl
 Private implementation class for LocalAtomSetManager. More...
 

Public Member Functions

LocalAtomSet add (ArrayRef< const index > globalAtomIndex)
 Add a new atom set to be managed and give back a handle. More...
 
void setIndicesInDomainDecomposition (const gmx_ga2la_t &ga2la)
 Recalculate local and collective indices from ga2la. Uses global atom to local atom lookup structure to update atom indices.
 

Member Function Documentation

template LocalAtomSet gmx::LocalAtomSetManager::add< void, void > ( ArrayRef< const index globalAtomIndex)

Add a new atom set to be managed and give back a handle.

Parameters
[in]globalAtomIndexIndices of the atoms to be managed
Returns
Handle to LocalAtomSet.

The documentation for this class was generated from the following files: