domdec Directory Reference

Directory dependency graph for domdec:

Directories
directory	tests

Files
file	atomdistribution.cpp
file	atomdistribution.h
file	box.cpp
file	box.h
file	builder.h
	This file declares a builder class for the manager of domain decomposition.
file	cellsizes.cpp
file	cellsizes.h
file	collect.cpp
file	collect.h
	Declares functions to collect state data to the main rank.
file	computemultibodycutoffs.cpp
file	computemultibodycutoffs.h
	This file declares the function for computing the required cutoff distance for inter-domain multi-body interactions, when those exist.
file	distribute.cpp
file	distribute.h
file	dlb.cpp
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	domainpaircomm.cpp
file	domainpaircomm.h
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
file	domdec_constraints.h
file	domdec_internal.h
file	domdec_network.cpp
file	domdec_network.h
	This file declares functions for (mostly) the domdec module to use MPI functionality.
file	domdec_setup.cpp
file	domdec_setup.h
file	domdec_specatomcomm.cpp
file	domdec_specatomcomm.h
file	domdec_struct.h
	Declares structures related to domain decomposition.
file	domdec_vsite.cpp
file	domdec_vsite.h
file	domdec_zones.cpp
	Implements the DomdecZones class.
file	domdec_zones.h
	Declares the DomdecZones class and helper structs.
file	dump.cpp
file	dump.h
file	ga2la.cpp
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	gpuhaloexchange.h
	Declaration of GPU halo exchange.
file	gpuhaloexchange_impl.cpp
file	gpuhaloexchange_impl_gpu.cpp
file	gpuhaloexchange_impl_gpu.h
file	gpuhaloexchange_impl_gpu_sycl.cpp
file	haloexchange.cpp
file	haloexchange.h
	Declares the HaloExchange class for halo communication of coordinates and forces.
file	haloexchangesetup.cpp
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
file	localatomset.h
	Declares gmx::LocalAtomSet.
file	localatomsetdata.cpp
file	localatomsetdata.h
file	localatomsetmanager.cpp
file	localatomsetmanager.h
	Declares gmx::LocalAtomSetManager.
file	localtopology.cpp
file	localtopology.h
	This file makes declarations used for building the local topology.
file	localtopologychecker.cpp
file	localtopologychecker.h
	This file declares functionality for checking whether local topologies describe all bonded interactions.
file	makebondedlinks.cpp
file	makebondedlinks.h
	Declares a function that makes the list of links between atoms connected by bonded interactions.
file	mdsetup.cpp
file	mdsetup.h
	Contains functions relevant to simulation setup in MD drivers.
file	nsgrid.cpp
file	nsgrid.h
file	options.h
	This file declares command-line options for mdrun related to domain decomposition.
file	partition.cpp
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
file	reversetopology.cpp
file	reversetopology.h
	This file makes declarations used for building the reverse topology.
file	utility.cpp
file	utility.h