DihedralBondsEnergyKernel Struct Reference

#include <bond_energy_kokkos.hpp>

Collaboration diagram for DihedralBondsEnergyKernel:

Public Member Functions
	DihedralBondsEnergyKernel (BondsEnergyKernelData data_, LocalBondState::DihedralBondlistType bond_list_, LocalBondState::DihedralBondIDType bond_ids_)
ESPRESSO_ATTR_ALWAYS_INLINE KOKKOS_INLINE_FUNCTION void	operator() (std::size_t idx) const

Public Attributes
BondsEnergyKernelData	data
LocalBondState::DihedralBondlistType	bond_list
LocalBondState::DihedralBondIDType	bond_ids

Detailed Description

Definition at line 147 of file bond_energy_kokkos.hpp.

Constructor & Destructor Documentation

DihedralBondsEnergyKernel()

DihedralBondsEnergyKernel::DihedralBondsEnergyKernel ( BondsEnergyKernelData  data_, LocalBondState::DihedralBondlistType  bond_list_, LocalBondState::DihedralBondIDType  bond_ids_  )

inline

Definition at line 152 of file bond_energy_kokkos.hpp.

Member Function Documentation

operator()()

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

inline

Definition at line 159 of file bond_energy_kokkos.hpp.

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

Member Data Documentation

bond_ids

LocalBondState::DihedralBondIDType DihedralBondsEnergyKernel::bond_ids

Definition at line 150 of file bond_energy_kokkos.hpp.

Referenced by operator()().

bond_list

LocalBondState::DihedralBondlistType DihedralBondsEnergyKernel::bond_list

Definition at line 149 of file bond_energy_kokkos.hpp.

Referenced by operator()().

data

BondsEnergyKernelData DihedralBondsEnergyKernel::data

Definition at line 148 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