AngleBondsEnergyKernel Struct Reference

#include <bond_energy_kokkos.hpp>

Collaboration diagram for AngleBondsEnergyKernel:

Public Member Functions
	AngleBondsEnergyKernel (BondsEnergyKernelData data_, LocalBondState::AngleBondlistType bond_list_, LocalBondState::AngleBondIDType bond_ids_)
ESPRESSO_ATTR_ALWAYS_INLINE KOKKOS_INLINE_FUNCTION void	operator() (std::size_t idx) const

Public Attributes
BondsEnergyKernelData	data
LocalBondState::AngleBondlistType	bond_list
LocalBondState::AngleBondIDType	bond_ids

Detailed Description

Definition at line 100 of file bond_energy_kokkos.hpp.

Constructor & Destructor Documentation

AngleBondsEnergyKernel()

AngleBondsEnergyKernel::AngleBondsEnergyKernel ( BondsEnergyKernelData  data_, LocalBondState::AngleBondlistType  bond_list_, LocalBondState::AngleBondIDType  bond_ids_  )

inline

Definition at line 105 of file bond_energy_kokkos.hpp.

Member Function Documentation

operator()()

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

inline

Definition at line 112 of file bond_energy_kokkos.hpp.

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

Member Data Documentation

bond_ids

LocalBondState::AngleBondIDType AngleBondsEnergyKernel::bond_ids

Definition at line 103 of file bond_energy_kokkos.hpp.

Referenced by operator()().

bond_list

LocalBondState::AngleBondlistType AngleBondsEnergyKernel::bond_list

Definition at line 102 of file bond_energy_kokkos.hpp.

Referenced by operator()().

data

BondsEnergyKernelData AngleBondsEnergyKernel::data

Definition at line 101 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