gmx::test::anonymous_namespace{kernel_test.cpp}::KernelOptions Struct Reference

Description

The options for the kernel.

Public Attributes
bool	useGpu = false
	Whether to use a GPU, currently GPUs are not supported.
int	numThreads = 1
	The number of OpenMP threads to use.
NbnxmKernelSetup	kernelSetup
	The kernel setup.
InteractionModifiers	vdwModifier = InteractionModifiers::PotShift
	The modifier for the VdW interactions.
LJCombinationRule	ljCombinationRule = LJCombinationRule::None
	The LJ combination rule.
bool	useLJPme = false
	Whether we are using PME for LJ.
real	ewaldRTolLJ = 1e-4
	Ewald relative tolerance for LJ.
LongRangeVdW	ljPmeCombinationRule = LongRangeVdW::Geom
	LJ combination rule for the LJ PME mesh part.
real	pairlistCutoff = 0.9
	The pairlist and interaction cut-off.
real	ewaldRTol = 1e-6
	The Coulomb Ewald coefficient.
CoulombKernelType	coulombType = CoulombKernelType::Ewald
	The Coulomb interaction function.
EnergyHandling	energyHandling = EnergyHandling::NoEnergies
	How to handle energy computations.

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The documentation for this struct was generated from the following file:

• src/gromacs/nbnxm/tests/kernel_test.cpp