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gmx::test::anonymous_namespace{pull.cpp} Namespace Reference

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.
 
bool isTransformationPullSetup (const std::string &pullSetupName)
 

Variables

std::unordered_map
< std::string, double > 
energyToleranceForSystem_g = { { { "spc216", 1e-4 } } }
 Database of energy tolerances on the various systems.
 
std::unordered_map
< std::string, double > 
pressureToleranceForSystem_g = { { { "spc216", 2e-4 } } }
 Database of pressure tolerances on the various systems.
 
const std::unordered_map
< std::string, std::vector
< std::pair< std::string,
std::string > > > 
c_mdpPullParams