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