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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.
 
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: