nonbonded_interaction_data.cpp File Reference

Implementation of nonbonded_interaction_data.hpp. More...

#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>

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Functions
static double	recalc_maximal_cutoff (IA_parameters const &data)

Detailed Description

Implementation of nonbonded_interaction_data.hpp.

Definition in file nonbonded_interaction_data.cpp.

Function Documentation

recalc_maximal_cutoff()

static double recalc_maximal_cutoff ( IA_parameters const &  data )

static

Definition at line 36 of file nonbonded_interaction_data.cpp.

References IA_parameters::bmhtf, IA_parameters::buckingham, TabulatedPotential::cutoff(), IA_parameters::dpd, IA_parameters::gaussian, IA_parameters::gay_berne, Coulomb::get_coulomb(), IA_parameters::hat, IA_parameters::hertzian, INACTIVE_CUTOFF, IA_parameters::lj, IA_parameters::ljcos, 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(), IA_parameters::morse, Thole_Parameters::scaling_coeff, IA_parameters::smooth_step, IA_parameters::soft_sphere, IA_parameters::tab, IA_parameters::thole, and IA_parameters::wca.

Referenced by InteractionsNonBonded::recalc_maximal_cutoffs().