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


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.
Nbnxm::KernelSetup 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.

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