Gromacs
2019-beta2
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#include <programs/mdrun/tests/trajectorycomparison.h>
Helper struct for testing different trajectory components with different tolerances.
Public Attributes | |
FloatingPointTolerance | box |
Tolerances for reproduction of different quantities. | |
FloatingPointTolerance | positions |
FloatingPointTolerance | velocities |
FloatingPointTolerance | forces |