Gromacs
2025-dev-20240913-b871546
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Typedefs | |
using | MaxNumWarnings = int |
Test fixture base for free energy calculations. More... | |
using | ListOfInteractionsToTest = std::vector< int > |
using | FreeEnergyReferenceTestParams = std::tuple< std::string, MaxNumWarnings, ListOfInteractionsToTest > |
using gmx::test::anonymous_namespace{freeenergy.cpp}::MaxNumWarnings = typedef int |
Test fixture base for free energy calculations.
This test ensures that selected free energy perturbation calculations produce results identical to an earlier version. The results of this earlier version have been verified manually to ensure physical correctness.