mdrun Directory Reference

Directory dependency graph for mdrun:

Files
file	isimulator.h
file	legacymdrunoptions.cpp
	This file declares helper functionality for legacy option handling for mdrun.
file	legacymdrunoptions.h
	This file declares helper functionality for legacy option handling for mdrun.
file	legacysimulator.cpp
file	legacysimulator.h
file	md.cpp
	Implements the integrator for normal molecular dynamics simulations.
file	mdmodules.cpp
file	mdmodules.h
	Declares gmx::MDModules.
file	membedholder.cpp
file	membedholder.h
file	mimic.cpp
	Declares the loop for MiMiC QM/MM.
file	minimize.cpp
	This file defines integrators for energy minimization.
file	minimize.h
file	replicaexchange.cpp
	Implements the replica exchange routines.
file	replicaexchange.h
	Declares the routines for replica exchange.
file	rerun.cpp
	Implements the loop for simulation reruns.
file	runner.cpp
	Implements the MD runner routine calling all integrators.
file	runner.h
	Declares the routine running the inetgrators.
file	shellfc.cpp
file	shellfc.h
file	simulationcontext.cpp
file	simulationcontext.h
	Provide ways for client code to own simulation resources.
file	simulationinput.cpp
file	simulationinput.h
	Utilities for interacting with SimulationInput.
file	simulationinputhandle.cpp
file	simulationinputhandle.h
	Public interface for SimulationInput facilities.
file	simulatorbuilder.cpp
	Defines the simulator builder for mdrun.
file	simulatorbuilder.h
file	tpi.cpp
	This file defines the integrator for test particle insertion.