ESPResSo
Extensible Simulation Package for Research on Soft Matter Systems
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bonded_interaction_data.hpp File Reference

Data structures for bonded interactions. More...

#include "angle_common.hpp"
#include "angle_cosine.hpp"
#include "angle_cossquare.hpp"
#include "angle_harmonic.hpp"
#include "bonded_coulomb.hpp"
#include "bonded_coulomb_sr.hpp"
#include "bonded_tab.hpp"
#include "dihedral.hpp"
#include "fene.hpp"
#include "harmonic.hpp"
#include "immersed_boundary/ibm_tribend.hpp"
#include "immersed_boundary/ibm_triel.hpp"
#include "immersed_boundary/ibm_volcons.hpp"
#include "object-in-fluid/oif_global_forces_params.hpp"
#include "object-in-fluid/oif_local_forces.hpp"
#include "quartic.hpp"
#include "rigid_bond.hpp"
#include "thermalized_bond.hpp"
#include "BondList.hpp"
#include "TabulatedPotential.hpp"
#include "system/Leaf.hpp"
#include <boost/variant.hpp>
#include <algorithm>
#include <cassert>
#include <cmath>
#include <optional>
#include <stdexcept>
#include <unordered_map>
#include <vector>
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Go to the source code of this file.

Classes

struct  NoneBond
 Interaction type for unused bonded interaction slots. More...
 
struct  VirtualBond
 Interaction type for virtual bonds. More...
 
class  BondNumPartners
 Visitor to get the number of bound partners from the bond parameter variant. More...
 
class  BondedInteractionsMap
 container for bonded interactions. More...
 

Typedefs

using Bonded_IA_Parameters = boost::variant< NoneBond, FeneBond, HarmonicBond, QuarticBond, BondedCoulomb, BondedCoulombSR, AngleHarmonicBond, AngleCosineBond, AngleCossquareBond, DihedralBond, TabulatedDistanceBond, TabulatedAngleBond, TabulatedDihedralBond, ThermalizedBond, RigidBond, IBMTriel, IBMVolCons, IBMTribend, OifGlobalForcesBond, OifLocalForcesBond, VirtualBond >
 Variant in which to store the parameters of an individual bonded interaction.
 

Functions

int number_of_partners (Bonded_IA_Parameters const &iaparams)
 Get the number of bonded partners for the specified bond.
 

Variables

static constexpr double BONDED_INACTIVE_CUTOFF = -1.
 

Detailed Description

Data structures for bonded interactions.

For more information on how to add new interactions, see Adding new interactions.

Definition in file bonded_interaction_data.hpp.

Typedef Documentation

◆ Bonded_IA_Parameters

Function Documentation

◆ number_of_partners()

Variable Documentation

◆ BONDED_INACTIVE_CUTOFF

constexpr double BONDED_INACTIVE_CUTOFF = -1.
staticconstexpr