tests Directory Reference

Directory dependency graph for tests:

Files
file	compressed_x_output.cpp
	Tests for the mdrun -x functionality.
file	domain_decomposition.cpp
	Tests special cases in domain decomposition.
file	energyreader.cpp
	Implementions of related classes for tests that want to inspect energies produced by mdrun.
file	energyreader.h
	Interfaces of related classes for tests that want to inspect energies produced by mdrun.
file	grompp.cpp
	Tests for basic grompp functionality.
file	initialconstraints.cpp
	This implements basic initial constrains test (using single-rank mdrun)
file	interactiveMD.cpp
	Tests utilities for interactive molecular dynamics (IMD) setups.
file	moduletest.cpp
	Implements classes in moduletest.h.
file	moduletest.h
	Declares test fixtures for general mdrun functionality.
file	multisim.cpp
	Tests for the mdrun multi-simulation functionality.
file	multisimtest.cpp
	Tests for the mdrun multi-simulation functionality.
file	multisimtest.h
	Declares test fixture for the mdrun multi-simulation functionality.
file	pmetest.cpp
	This implements basic PME sanity tests. It runs the input system with PME for several steps (on CPU and GPU, if available), and checks the reciprocal and conserved energies. As part of mdrun-test, this will always run single rank PME simulation. As part of mdrun-mpi-test, this will run same as above when a single rank is requested, or a simulation with a single separate PME rank ("-npme 1") when multiple ranks are requested.
file	replicaexchange.cpp
	Tests for the mdrun replica-exchange functionality.
file	rerun.cpp
	Tests for the mdrun -rerun functionality.
file	swapcoords.cpp
	Tests utilities for "Computational Electrophysiology" setups.
file	tabulated_bonded_interactions.cpp
	Tests for tabulated bonded interactions.
file	termination.cpp
	Tests for the mdrun termination functionality.
file	terminationhelper.cpp
	Defines functionality used to test mdrun termination functionality under different conditions.
file	terminationhelper.h
	Declares functionality used to test mdrun termination functionality under different conditions.
file	trajectory_writing.cpp
	Tests for the .mdp nst*out functionality.
file	trajectoryreader.cpp
	Implementions of related classes for tests that want to inspect trajectories produced by mdrun.
file	trajectoryreader.h
	Declares interface of a class for tests that want to inspect trajectories produced by mdrun.