Gromacs
2025-dev-20240502-0c5c98a
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Convenience typedef of the test input parameters.
Public Types | |
using | TupleT = std::tuple< Nbnxm::KernelType, CoulombKernelType, int, EnergyHandling > |
Public Member Functions | |
KernelInputParameters (TupleT t) | |
Public Attributes | |
Nbnxm::KernelType | kernelType |
The kernel type and cluster pair layout. | |
CoulombKernelType | coulombKernelType |
The Coulomb kernel type. | |
int | vdwKernelType |
The VdW interaction type. | |
EnergyHandling | energyHandling = EnergyHandling::NoEnergies |
How to handle energy computations. | |