Gromacs
2022-beta1
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Classes | |
class | PullIntegrationTest |
Test fixture base for simple mdrun systems. More... | |
Typedefs | |
using | MdpField = MdpFieldValues::value_type |
Helper type. | |
Functions | |
void | addBasicMdpValues (MdpFieldValues *mdpFieldValues) |
Adds integrator and nonbonded parameter setup. | |
Variables | |
std::unordered_map < std::string, FloatingPointTolerance > | energyToleranceForSystem_g |
Database of energy tolerances on the various systems. More... | |
std::unordered_map < std::string, FloatingPointTolerance > | pressureToleranceForSystem_g |
Database of pressure tolerances on the various systems. More... | |
const std::unordered_map < std::string, std::vector < std::pair< std::string, std::string > > > | c_mdpPullParams |
std::unordered_map<std::string, FloatingPointTolerance> gmx::test::anonymous_namespace{pull.cpp}::energyToleranceForSystem_g |
Database of energy tolerances on the various systems.
std::unordered_map<std::string, FloatingPointTolerance> gmx::test::anonymous_namespace{pull.cpp}::pressureToleranceForSystem_g |
Database of pressure tolerances on the various systems.