Gromacs  2019-beta2
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domdec Directory Reference
+ Directory dependency graph for domdec:

Directories

directory  tests
 

Files

file  atomdistribution.cpp
 
file  atomdistribution.h
 Declares the AtomDistribution struct.
 
file  box.cpp
 This file defines functions used by the domdec module for (bounding) box and pbc information generation.
 
file  box.h
 This file declares functions used by the domdec module for (bounding) box and pbc information generation.
 
file  cellsizes.cpp
 
file  cellsizes.h
 Declares DD cell-size related functions.
 
file  collect.cpp
 
file  collect.h
 Declares functions to collect state data to the master rank.
 
file  distribute.cpp
 
file  distribute.h
 Declares the atom distribution function.
 
file  dlb.cpp
 This file implements functions to interact with the dynamic load balancing machinery.
 
file  dlb.h
 This file declares functions to interact with the dynamic load balancing machinery.
 
file  dlbtiming.cpp
 
file  dlbtiming.h
 This file declares functions for timing the load imbalance due to domain decomposition.
 
file  domdec.cpp
 
file  domdec.h
 This file declares functions for mdrun to call to manage the details of its domain decomposition.
 
file  domdec_constraints.cpp
 This file implements functions for domdec to use while managing inter-atomic constraints.
 
file  domdec_constraints.h
 This file declares functions for domdec to use while managing inter-atomic constraints.
 
file  domdec_internal.h
 Declares implementation functions and types for the domain decomposition module.
 
file  domdec_network.cpp
 This file defines functions for (mostly) the domdec module to use MPI functionality.
 
file  domdec_network.h
 This file declares functions for (mostly) the domdec module to use MPI functionality.
 
file  domdec_setup.cpp
 This file defines functions used by the domdec module in its initial setup phase.
 
file  domdec_specatomcomm.cpp
 This file implements functions for domdec to use while managing inter-atomic constraints.
 
file  domdec_specatomcomm.h
 This file declares functions for domdec to use while managing communication of atoms required for special purposes.
 
file  domdec_struct.h
 Declares structures related to domain decomposition.
 
file  domdec_topology.cpp
 This file defines functions used by the domdec module while managing the construction, use and error checking for topologies local to a DD rank.
 
file  domdec_vsite.cpp
 This file implements functions for domdec to use while managing inter-atomic constraints.
 
file  domdec_vsite.h
 This file declares functions for domdec to use while managing virtual sites.
 
file  dump.cpp
 This file definees functions for DD to write PDB files e.g. when reporting problems.
 
file  dump.h
 This file declares functions for DD to write PDB files e.g. when reporting problems.
 
file  ga2la.cpp
 Implements functions for mapping from global to local atom indices.
 
file  ga2la.h
 Defines structures and functions for mapping from global to local atom indices. The functions are performance critical and should be inlined.
 
file  hashedmap.h
 Defines structures and functions for mapping from keys to entries indices using a hash table. The functions are performance critical and should be inlined.
 
file  localatomset.cpp
 Implements classes in LocalAtomSet.h.
 
file  localatomset.h
 Declares gmx::LocalAtomSet.
 
file  localatomsetdata.cpp
 Declares gmx::internal::LocalAtomSetDataData.
 
file  localatomsetdata.h
 Declares gmx::internal::LocalAtomSetData.
 
file  localatomsetmanager.cpp
 Implements classes in LocalAtomSetmanager.h.
 
file  localatomsetmanager.h
 Declares gmx::LocalAtomSetManager.
 
file  partition.cpp
 This file defines functions for mdrun to call to make a new domain decomposition, and check it.
 
file  partition.h
 This file declares functions for mdrun to call to make a new domain decomposition, and check it.
 
file  redistribute.cpp
 
file  redistribute.h
 Declares the atom redistribution function.
 
file  utility.cpp
 Declares utility functions used in the domain decomposition module.
 
file  utility.h
 Declares utility functions used in the domain decomposition module.