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Gromacs
2026.0-dev-20251114-850eace
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Inheritance diagram for gmx::test::anonymous_namespace{pull.cpp}::PullIntegrationTest:
Collaboration diagram for gmx::test::anonymous_namespace{pull.cpp}::PullIntegrationTest:Test fixture base for simple mdrun systems.
This test ensures mdrun can run a simulation, reaching reproducible energies.
The choices for tolerance are arbitrary but sufficient.
Additional Inherited Members | |
Static Public Member Functions inherited from gmx::test::MdrunTestFixtureBase | |
| static void | SetUpTestSuite () |
| Per-test-case setup for lengthy processes that need run only once. | |
| static void | TearDownTestSuite () |
| Per-test-case tear down. | |
Public Attributes inherited from gmx::test::MdrunTestFixture | |
| TestFileManager | fileManager_ |
| Manages temporary files during the test. | |
| SimulationRunner | runner_ |
| Helper object to manage the preparation for and call of mdrun. | |
Static Public Attributes inherited from gmx::test::MdrunTestFixtureBase | |
| static MPI_Comm | s_communicator = MPI_COMM_NULL |
| Communicator over which the test fixture works. | |
| static std::unique_ptr < gmx_hw_info_t > | s_hwinfo |
| Hardware information object. More... | |
1.8.5