ESPResSo
Extensible Simulation Package for Research on Soft Matter Systems
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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>
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. |
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.
Variant in which to store the parameters of an individual bonded interaction.
Definition at line 88 of file bonded_interaction_data.hpp.
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inline |
Get the number of bonded partners for the specified bond.
Definition at line 231 of file bonded_interaction_data.hpp.
Referenced by calc_bonded_pressure_tensor(), ScriptInterface::Interactions::BondedInteraction::do_call_method(), Mpiio::dump_info(), CollisionDetection::BindAtPointOfCollision::handle_collisions(), CollisionDetection::BindAtPointOfCollision::initialize(), and CollisionDetection::BindCenters::initialize().
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staticconstexpr |
Definition at line 63 of file bonded_interaction_data.hpp.
Referenced by NoneBond::cutoff(), VirtualBond::cutoff(), and BondedInteractionsMap::maximal_cutoff().