DihedralBondsPressureKernel Struct Reference

#include <bond_pressure_kokkos.hpp>

Collaboration diagram for DihedralBondsPressureKernel:

Public Member Functions
	DihedralBondsPressureKernel (BondsPressureKernelData 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
BondsPressureKernelData	data
LocalBondState::DihedralBondlistType	bond_list
LocalBondState::DihedralBondIDType	bond_ids

Detailed Description

Definition at line 155 of file bond_pressure_kokkos.hpp.

Constructor & Destructor Documentation

DihedralBondsPressureKernel()

DihedralBondsPressureKernel::DihedralBondsPressureKernel ( BondsPressureKernelData  data_, LocalBondState::DihedralBondlistType  bond_list_, LocalBondState::DihedralBondIDType  bond_ids_  )

inline

Definition at line 160 of file bond_pressure_kokkos.hpp.

Member Function Documentation

operator()()

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

inline

Definition at line 167 of file bond_pressure_kokkos.hpp.

References BondsPressureKernelData::aosoa, bond_broken_error(), bond_ids, bond_list, BondsPressureKernelData::bonded_ias, BondsPressureKernelData::box_geo, calc_bonded_four_body_pressure_tensor(), data, Utils::flatten(), BondsPressureKernelData::layout, BondsPressureKernelData::local_pressure, and stream.

Member Data Documentation

bond_ids

LocalBondState::DihedralBondIDType DihedralBondsPressureKernel::bond_ids

Definition at line 158 of file bond_pressure_kokkos.hpp.

Referenced by operator()().

bond_list

LocalBondState::DihedralBondlistType DihedralBondsPressureKernel::bond_list

Definition at line 157 of file bond_pressure_kokkos.hpp.

Referenced by operator()().

data

BondsPressureKernelData DihedralBondsPressureKernel::data

Definition at line 156 of file bond_pressure_kokkos.hpp.

Referenced by operator()().

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

• bond_pressure_kokkos.hpp