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Classes | Functions
gmx::test::anonymous_namespace{exactcontinuation.cpp} Namespace Reference

Classes

class  ContinuationFramePairManager
 Manages comparing a pair of matching energy frames from a normal run and the same run in two parts. More...
 
class  MdrunNoAppendContinuationIsExact
 Test fixture for mdrun exact continuations. More...
 

Functions

void runTest (TestFileManager *fileManager, SimulationRunner *runner, const std::string &simulationName, int maxWarningsTolerated, const MdpFieldValues &mdpFieldValues, const EnergyTermsToCompare &energyTermsToCompare)
 Run grompp for a normal mdrun, the same mdrun stopping part way, doing a continuation, and compare the results.