gmx::CoulombCalculator< KernelCoulombType::EwaldAnalytical > Class Template Reference

#include <gromacs/nbnxm/simd_coulomb_functions.h>

Description

template<>
class gmx::CoulombCalculator< KernelCoulombType::EwaldAnalytical >

Specialized calculator for Ewald using an analytic approximation.

Public Member Functions
	CoulombCalculator (const interaction_const_t &ic)
real	selfEnergy () const
	Returns the self energy.
template<int nR>
std::array< SimdReal, nR >	force (const std::array< SimdReal, nR > &rSquaredV, const std::array< SimdReal, nR > gmx_unused &dummyRInvV, const std::array< SimdReal, nR > &rInvExclV, const std::array< SimdBool, nR > &withinCutoffV)
template<int nR, std::size_t energySize>
void	forceAndCorrectionEnergy (const std::array< SimdReal, nR > &rSquaredV, const std::array< SimdReal, nR > &rInvV, const std::array< SimdReal, nR > &rInvExclV, const std::array< SimdBool, nR > &withinCutoffV, std::array< SimdReal, nR > &forceV, std::array< SimdReal, energySize > &correctionEnergyV)
	Computes the Coulomb force and the correction energy for the Ewald reciprocal part.

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

• src/gromacs/nbnxm/simd_coulomb_functions.h