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Gromacs
2026.0-dev-20251111-8c1ac59
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#include <programs/mdrun/tests/trajectorycomparison.h>
Collaboration diagram for gmx::test::TrajectoryTolerances:Helper struct for testing different trajectory components with different tolerances.
Public Attributes | |
| FloatingPointTolerance | box |
| Tolerances for reproduction of different quantities. | |
| FloatingPointTolerance | coordinates |
| FloatingPointTolerance | velocities |
| FloatingPointTolerance | forces |
1.8.5