energy_cabana.hpp File Reference

#include <config/config.hpp>
#include "aosoa_pack.hpp"
#include "energy_inline.hpp"
#include "short_range_cabana_helpers.hpp"
#include <utils/Vector.hpp>
#include <Cabana_Core.hpp>
#include <omp.h>
#include <cstddef>
#include <memory>
#include <optional>
#include <variant>
#include <vector>

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Classes
struct	EnergyBinLayout
struct	EnergyKernel

Functions
static void	reduce_cabana_energy (Kokkos::View< double **, Kokkos::LayoutRight > const &local_energy, EnergyBinLayout const &layout, Observable_stat &obs, BondedInteractionsMap const &bonded_ias, int n_types)

Function Documentation

reduce_cabana_energy()

static void reduce_cabana_energy ( Kokkos::View< double **, Kokkos::LayoutRight > const &  local_energy, EnergyBinLayout const &  layout, Observable_stat &  obs, BondedInteractionsMap const &  bonded_ias, int  n_types  )

static

Definition at line 207 of file energy_cabana.hpp.

References Observable_stat::bonded_contribution(), EnergyBinLayout::bonded_idx(), Observable_stat::coulomb, EnergyBinLayout::coulomb_idx(), Observable_stat::dipolar, EnergyBinLayout::dipolar_idx(), EnergyBinLayout::n_bonded, EnergyBinLayout::nb_inter_idx(), EnergyBinLayout::nb_intra_idx(), Observable_stat::non_bonded_inter_contribution(), and Observable_stat::non_bonded_intra_contribution().

Referenced by System::System::calculate_energy().