Gromacs  2019-beta2
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Classes | Functions
gmx::test::anonymous_namespace{rerun.cpp} Namespace Reference

Classes

class  EnergyComparator
 Functor for comparing reference and test frames on particular energies to match. More...
 
class  MdrunRerunTest
 Test fixture base for mdrun -rerun. More...
 

Functions

void executeRerunTest (TestFileManager *fileManager, SimulationRunner *runner, const std::string &simulationName, int maxWarningsTolerated, const MdpFieldValues &mdpFieldValues, const EnergyTolerances &energiesToMatch)
 Run grompp for a normal mdrun, the run, and its rerun.