nonbonded_interaction_data.hpp File Reference

Various procedures concerning interactions between particles. More...

#include "TabulatedPotential.hpp"
#include "config/config.hpp"
#include "system/Leaf.hpp"
#include <utils/index.hpp>
#include <utils/math/int_pow.hpp>
#include <algorithm>
#include <cassert>
#include <cmath>
#include <memory>
#include <vector>

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Classes
struct	LJ_Parameters
	Lennard-Jones with shift. More...
struct	WCA_Parameters
	WCA potential. More...
struct	LJGen_Parameters
	Generic Lennard-Jones with shift. More...
struct	SmoothStep_Parameters
	smooth step potential More...
struct	Hertzian_Parameters
	Hertzian potential. More...
struct	Gaussian_Parameters
	Gaussian potential. More...
struct	BMHTF_Parameters
	BMHTF NaCl potential. More...
struct	Morse_Parameters
	Morse potential. More...
struct	Buckingham_Parameters
	Buckingham potential. More...
struct	SoftSphere_Parameters
	soft-sphere potential More...
struct	Hat_Parameters
	hat potential More...
struct	LJcos_Parameters
	Lennard-Jones+Cos potential. More...
struct	LJcos2_Parameters
	Lennard-Jones with a different Cos potential. More...
struct	GayBerne_Parameters
	Gay-Berne potential. More...
struct	Thole_Parameters
	Thole potential. More...
struct	DPDParameters
	DPD potential. More...
struct	DPD_Parameters
struct	IA_parameters
	Parameters for non-bonded interactions. More...
class	InteractionsNonBonded

Variables
constexpr double	INACTIVE_CUTOFF = -1.
	Cutoff for deactivated interactions.

Detailed Description

Various procedures concerning interactions between particles.

Definition in file nonbonded_interaction_data.hpp.

Variable Documentation

INACTIVE_CUTOFF

constexpr double INACTIVE_CUTOFF = -1.

constexpr

Cutoff for deactivated interactions.

Must be negative, so that even particles on top of each other don't interact by chance.

Definition at line 44 of file nonbonded_interaction_data.hpp.

Referenced by System::System::calculate_forces(), CollisionDetection::CollisionDetection::cutoff(), CollisionDetection::Off::cutoff(), System::System::get_interaction_range(), ScriptInterface::Interactions::InteractionPotentialInterface< CoreIA >::inactive_cutoff(), Constraints::is_active(), InteractionsNonBonded::maximal_cutoff(), System::System::maximal_cutoff(), VerletCriterion< CutoffGetter >::operator()(), recalc_maximal_cutoff(), and System::System::System().