nonbonded_interaction_data.cpp File Reference

Implementation of nonbonded_interaction_data.hpp. More...

#include <config/config.hpp>
#include "nonbonded_interactions/nonbonded_interaction_data.hpp"
#include "electrostatics/coulomb.hpp"
#include "system/System.hpp"
#include <algorithm>
#include <cassert>
#include <cstddef>
#include <memory>
#include <utility>
#include <vector>

Include dependency graph for nonbonded_interaction_data.cpp:

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Functions
static void	consider (double &max_cut_current, unsigned &mask, PairPotential p, double sub_cutoff)
static std::pair< double, unsigned >	recalc_maximal_cutoff (IA_parameters const &data, System::System const &system)

Detailed Description

Implementation of nonbonded_interaction_data.hpp.

Definition in file nonbonded_interaction_data.cpp.

Function Documentation

consider()

static void consider ( double &  max_cut_current, unsigned &  mask, PairPotential  p, double  sub_cutoff  )

static

Definition at line 43 of file nonbonded_interaction_data.cpp.

References pair_potential_bit().

Referenced by recalc_maximal_cutoff().

recalc_maximal_cutoff()

static std::pair< double, unsigned > recalc_maximal_cutoff ( IA_parameters const &  data, System::System const &  system  )

static

Definition at line 54 of file nonbonded_interaction_data.cpp.

References BMHTF, IA_parameters::bmhtf, Buckingham, IA_parameters::buckingham, consider(), TabulatedPotential::cutoff(), DPD, IA_parameters::dpd, Gaussian, IA_parameters::gaussian, IA_parameters::gay_berne, GayBerne, Hat, IA_parameters::hat, Hertzian, IA_parameters::hertzian, inactive_cutoff, LennardJones, LennardJonesGeneric, IA_parameters::lj, LJCos, IA_parameters::ljcos, LJCos2, IA_parameters::ljcos2, IA_parameters::ljgen, LJ_Parameters::max_cutoff(), WCA_Parameters::max_cutoff(), LJGen_Parameters::max_cutoff(), SmoothStep_Parameters::max_cutoff(), Hertzian_Parameters::max_cutoff(), Gaussian_Parameters::max_cutoff(), BMHTF_Parameters::max_cutoff(), Morse_Parameters::max_cutoff(), Buckingham_Parameters::max_cutoff(), SoftSphere_Parameters::max_cutoff(), Hat_Parameters::max_cutoff(), LJcos_Parameters::max_cutoff(), LJcos2_Parameters::max_cutoff(), GayBerne_Parameters::max_cutoff(), DPD_Parameters::max_cutoff(), Morse, IA_parameters::morse, Thole_Parameters::scaling_coeff, IA_parameters::smooth_step, SmoothStep, IA_parameters::soft_sphere, SoftSphere, IA_parameters::tab, Tabulated, IA_parameters::thole, WCA, and IA_parameters::wca.

Referenced by InteractionsNonBonded::recalc_maximal_cutoffs().