Gromacs
2024.3
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Typedefs | |
using | SimulatorComparisonTestParams = std::tuple< std::tuple< std::string, std::string, std::string, std::string, MdpParameterDatabase >, std::string > |
Test fixture base for two equivalent simulators. More... | |
using gmx::test::anonymous_namespace{simulator.cpp}::SimulatorComparisonTestParams = typedef std::tuple<std::tuple<std::string, std::string, std::string, std::string, MdpParameterDatabase>, std::string> |
Test fixture base for two equivalent simulators.
This test ensures that two simulator code paths (called via different mdp options and/or environment variables) yield identical coordinate, velocity, box, force and energy trajectories, up to some (arbitrary) precision.
These tests are useful to check that re-implementations of existing simulators are correct, and that different code paths expected to yield identical results are equivalent.