Gromacs  2024.2
 All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Friends Macros Groups Pages
Typedefs | Functions
gmx::test::anonymous_namespace{multiple_time_stepping.cpp} Namespace Reference


using MtsComparisonTestParams = std::tuple< std::string, std::string >
 Test fixture base for two integration schemes. More...


EnergyTermsToCompare energyTermsToCompare (const real energyTol, const real virialTol)
 Returns set of energy terms to compare with associated tolerances.

Typedef Documentation

using gmx::test::anonymous_namespace{multiple_time_stepping.cpp}::MtsComparisonTestParams = typedef std::tuple<std::string, std::string>

Test fixture base for two integration schemes.

This test ensures that integration with(out) different multiple time stepping schemes (called via different mdp options) yield near identical energies, forces and virial at step 0 and similar energies and virial after 4 steps.