nbnxm_kernel_utils.h File Reference

#include "config.h"
#include "gromacs/gpu_utils/gpu_kernel_utils.h"
#include "gromacs/mdtypes/interaction_const.h"
#include "gromacs/nbnxm/gpu_types_common.h"
#include "gromacs/nbnxm/nbnxm.h"

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Description

NBNXM GPU kernel utility methods.

Functions
static	gmx::__attribute__ ((always_inline)) Float2 convertSigmaEpsilonToC6C12(const float sigma
	Convert sigma and epsilon VdW parameters to c6,c12 pair. More...
if	gmx::constexpr (calcFr)
if	gmx::constexpr (doCalcEnergies)

Variables
static const float	gmx::epsilon
const float	gmx::sigma6 = sigma2 * sigma2 * sigma2
const float	gmx::c6 = epsilon * sigma6
const float	gmx::c12 = c6 * sigma6
	gmx::return { c6, c12 }
static const shift_consts_t	gmx::repulsionShift
static const shift_consts_t const float	gmx::rVdwSwitch
static const shift_consts_t const float const float const float const float	gmx::rInv
static const shift_consts_t const float const float const float const float const float	gmx::r2
static const shift_consts_t const float const float const float const float const float float *	gmx::f
static const shift_consts_t const float const float const float const float const float float float *	gmx::eLJ
const float	gmx::dispShiftV3 = dispersionShift.c3
const float	gmx::repuShiftV2 = repulsionShift.c2
const float	gmx::repuShiftV3 = repulsionShift.c3
const float	gmx::r = r2 * rInv
const float	gmx::rSwitch = gmxGpuFDim(r, rVdwSwitch)
	gmx::else
static const int	gmx::typeI