PressureKernel Struct Reference

#include <pressure_cabana.hpp>

Collaboration diagram for PressureKernel:

Public Types
using	execution_space = Kokkos::HostSpace

Public Member Functions
	PressureKernel (BondedInteractionsMap const &bonded_ias_, InteractionsNonBonded const &nonbonded_ias_, Coulomb::Solver const &coulomb_, Coulomb::ShortRangeForceKernel::kernel_type const *coulomb_f_kernel_, Coulomb::ShortRangePressureKernel::kernel_type const *coulomb_p_kernel_, BoxGeometry const &box_geo_, DPDThermostat const *dpd_, std::vector< Particle * > const &unique_particles_, Kokkos::View< double **, Kokkos::LayoutRight, execution_space > const &local_pressure_, PressureBinLayout layout_, CellStructure::AoSoA_pack const &aosoa_, Kokkos::View< int *, execution_space > mol_id_view_, double system_max_cutoff_, int thermo_switch_)
ESPRESSO_ATTR_ALWAYS_INLINE void	operator() (std::size_t i, std::size_t j) const

Public Attributes
BondedInteractionsMap const &	bonded_ias
InteractionsNonBonded const &	nonbonded_ias
Coulomb::Solver const &	coulomb
Coulomb::ShortRangeForceKernel::kernel_type const *	coulomb_f_kernel
Coulomb::ShortRangePressureKernel::kernel_type const *	coulomb_p_kernel
BoxGeometry const &	box_geo
DPDThermostat const *	dpd
std::vector< Particle * > const &	unique_particles
Kokkos::View< double **, Kokkos::LayoutRight, execution_space >	local_pressure
PressureBinLayout	layout
CellStructure::AoSoA_pack const &	aosoa
Kokkos::View< int *, Kokkos::LayoutRight, execution_space >	mol_id_view
double	system_max_cutoff
int	thermo_switch

Detailed Description

Definition at line 99 of file pressure_cabana.hpp.

Member Typedef Documentation

execution_space

using PressureKernel::execution_space = Kokkos::HostSpace

Definition at line 100 of file pressure_cabana.hpp.

Constructor & Destructor Documentation

PressureKernel()

PressureKernel::PressureKernel ( BondedInteractionsMap const &  bonded_ias_, InteractionsNonBonded const &  nonbonded_ias_, Coulomb::Solver const &  coulomb_, Coulomb::ShortRangeForceKernel::kernel_type const *  coulomb_f_kernel_, Coulomb::ShortRangePressureKernel::kernel_type const *  coulomb_p_kernel_, BoxGeometry const &  box_geo_, DPDThermostat const *  dpd_, std::vector< Particle * > const &  unique_particles_, Kokkos::View< double **, Kokkos::LayoutRight, execution_space > const &  local_pressure_, PressureBinLayout  layout_, CellStructure::AoSoA_pack const &  aosoa_, Kokkos::View< int *, execution_space >  mol_id_view_, double  system_max_cutoff_, int  thermo_switch_  )

inline

Definition at line 118 of file pressure_cabana.hpp.

Member Function Documentation

operator()()

ESPRESSO_ATTR_ALWAYS_INLINE void PressureKernel::operator() ( std::size_t  i, std::size_t  j  ) const

inline

Definition at line 145 of file pressure_cabana.hpp.

References aosoa, bonded_ias, box_geo, calc_central_radial_force(), calc_non_central_force(), CellStructure::AoSoA_pack::charge, coulomb_f_kernel, PressureBinLayout::coulomb_idx(), coulomb_p_kernel, CellStructure::AoSoA_pack::director, do_nonbonded(), dpd, dpd_active(), PressureBinLayout::dpd_idx(), dpd_noise(), dpd_pair_force(), Utils::flatten(), gay_berne_active(), InteractionsNonBonded::get_ia_param(), BoxGeometry::get_mi_vector(), CellStructure::AoSoA_pack::get_vector_at(), CellStructure::AoSoA_pack::has_exclusion(), CellStructure::AoSoA_pack::id, layout, local_pressure, mol_id_view, PressureBinLayout::nb_inter_idx(), PressureBinLayout::nb_intra_idx(), nonbonded_ias, Utils::Vector< T, N >::norm2(), P, CellStructure::AoSoA_pack::position, stream, system_max_cutoff, PressureBinLayout::tensor_offset(), Utils::tensor_product(), thermo_switch, thole_active(), thole_pair_force(), CellStructure::AoSoA_pack::type, unique_particles, CellStructure::AoSoA_pack::velocity, and BoxGeometry::velocity_difference().

Member Data Documentation

aosoa

CellStructure::AoSoA_pack const& PressureKernel::aosoa

Definition at line 113 of file pressure_cabana.hpp.

Referenced by operator()().

bonded_ias

BondedInteractionsMap const& PressureKernel::bonded_ias

Definition at line 101 of file pressure_cabana.hpp.

Referenced by operator()().

box_geo

BoxGeometry const& PressureKernel::box_geo

Definition at line 106 of file pressure_cabana.hpp.

Referenced by operator()().

coulomb

Coulomb::Solver const& PressureKernel::coulomb

Definition at line 103 of file pressure_cabana.hpp.

coulomb_f_kernel

Coulomb::ShortRangeForceKernel::kernel_type const* PressureKernel::coulomb_f_kernel

Definition at line 104 of file pressure_cabana.hpp.

Referenced by operator()().

coulomb_p_kernel

Coulomb::ShortRangePressureKernel::kernel_type const* PressureKernel::coulomb_p_kernel

Definition at line 105 of file pressure_cabana.hpp.

Referenced by operator()().

dpd

DPDThermostat const* PressureKernel::dpd

Definition at line 108 of file pressure_cabana.hpp.

Referenced by System::System::calculate_pressure(), and operator()().

layout

PressureBinLayout PressureKernel::layout

Definition at line 112 of file pressure_cabana.hpp.

Referenced by operator()().

local_pressure

Kokkos::View<double **, Kokkos::LayoutRight, execution_space> PressureKernel::local_pressure

Definition at line 111 of file pressure_cabana.hpp.

Referenced by operator()().

mol_id_view

Kokkos::View<int *, Kokkos::LayoutRight, execution_space> PressureKernel::mol_id_view

Definition at line 114 of file pressure_cabana.hpp.

Referenced by operator()().

nonbonded_ias

InteractionsNonBonded const& PressureKernel::nonbonded_ias

Definition at line 102 of file pressure_cabana.hpp.

Referenced by operator()().

system_max_cutoff

double PressureKernel::system_max_cutoff

Definition at line 115 of file pressure_cabana.hpp.

Referenced by operator()().

thermo_switch

int PressureKernel::thermo_switch

Definition at line 116 of file pressure_cabana.hpp.

Referenced by operator()().

unique_particles

std::vector<Particle *> const& PressureKernel::unique_particles

Definition at line 110 of file pressure_cabana.hpp.

Referenced by operator()().

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

• pressure_cabana.hpp