Gromacs
2016.6
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Functionality for testing mdrun as a whole.
Classes | |
class | gmx::test::MdrunComparisonFixture |
Declares abstract base text fixture class for integration tests of mdrun functionality that will compare multiple calls to mdrun. More... | |
class | gmx::test::SimulationRunner |
Helper object for running grompp and mdrun in integration tests of mdrun functionality. More... | |
class | gmx::test::MdrunTestFixtureBase |
Declares test fixture base class for integration tests of mdrun functionality. More... | |
class | gmx::test::MdrunTestFixture |
Declares test fixture class for integration tests of mdrun functionality that use a single call of mdrun. More... | |
class | gmx::test::MultiSimTest |
Test fixture for multi-sim functionality. More... | |
class | gmx::test::TerminationHelper |
Help test mdrun termination behaviour. More... | |
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 | interactiveMD.cpp |
Tests utilities for interactive molecular dynamics (IMD) setups. | |
file | mdruncomparisonfixture.cpp |
Implements classes in mdruncomparisonfixture.h. | |
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 | 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. | |