Gromacs
2020.2
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Test fixture base for normal mode analysis.
This test ensures mdrun can run a normal mode analysis, reaching a reproducible eigenvalues following diagonalization.
The choices for tolerance are arbitrary but sufficient.
Additional Inherited Members | |
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. | |