PairBondsEnergyKernel Struct Reference

#include <bond_energy_kokkos.hpp>

Collaboration diagram for PairBondsEnergyKernel:

Public Member Functions
	PairBondsEnergyKernel (BondsEnergyKernelData data_, LocalBondState::PairBondlistType bond_list_, LocalBondState::PairBondIDType bond_ids_, Coulomb::ShortRangeEnergyKernel::kernel_type const *coulomb_u_kernel_)
ESPRESSO_ATTR_ALWAYS_INLINE KOKKOS_INLINE_FUNCTION void	operator() (std::size_t idx) const

Public Attributes
BondsEnergyKernelData	data
LocalBondState::PairBondlistType	bond_list
LocalBondState::PairBondIDType	bond_ids
Coulomb::ShortRangeEnergyKernel::kernel_type const *const	coulomb_u_kernel

Detailed Description

Definition at line 48 of file bond_energy_kokkos.hpp.

Constructor & Destructor Documentation

PairBondsEnergyKernel()

PairBondsEnergyKernel::PairBondsEnergyKernel ( BondsEnergyKernelData  data_, LocalBondState::PairBondlistType  bond_list_, LocalBondState::PairBondIDType  bond_ids_, Coulomb::ShortRangeEnergyKernel::kernel_type const *  coulomb_u_kernel_  )

inline

Definition at line 54 of file bond_energy_kokkos.hpp.

Member Function Documentation

operator()()

ESPRESSO_ATTR_ALWAYS_INLINE KOKKOS_INLINE_FUNCTION void PairBondsEnergyKernel::operator() ( std::size_t  idx ) const

inline

Definition at line 62 of file bond_energy_kokkos.hpp.

References BondsEnergyKernelData::aosoa, bond_broken_error(), bond_ids, bond_list, BondsEnergyKernelData::bonded_ias, BondsEnergyKernelData::box_geo, calc_pair_bonded_energy(), coulomb_u_kernel, data, BondsEnergyKernelData::layout, BondsEnergyKernelData::local_energy, and stream.

Member Data Documentation

bond_ids

LocalBondState::PairBondIDType PairBondsEnergyKernel::bond_ids

Definition at line 51 of file bond_energy_kokkos.hpp.

Referenced by operator()().

bond_list

LocalBondState::PairBondlistType PairBondsEnergyKernel::bond_list

Definition at line 50 of file bond_energy_kokkos.hpp.

Referenced by operator()().

coulomb_u_kernel

Coulomb::ShortRangeEnergyKernel::kernel_type const* const PairBondsEnergyKernel::coulomb_u_kernel

Definition at line 52 of file bond_energy_kokkos.hpp.

Referenced by operator()().

data

BondsEnergyKernelData PairBondsEnergyKernel::data

Definition at line 49 of file bond_energy_kokkos.hpp.

Referenced by operator()().

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

• bond_energy_kokkos.hpp