//! Marks particles to have Van der Waals interactions
void setParticleInfoAllVdv(size_t numParticles);
- //! Returns the kernel setup
- Nbnxm::KernelSetup getKernelSetup(const NBKernelOptions& options);
-
//! Set up StepWorkload data
void setupStepWorkload(const NBKernelOptions& options);