TabulatedBond Struct Reference

Base class for n-body tabulated potential (n=2,3,4). More...

#include <bonded_tab.hpp>

Inheritance diagram for TabulatedBond:

Collaboration diagram for TabulatedBond:

Public Member Functions
	TabulatedBond (double min, double max, std::vector< double > const &energy, std::vector< double > const &force)
	Set the parameters of a bonded tabulated potential.

Public Attributes
std::shared_ptr< TabulatedPotential >	pot

Detailed Description

Base class for n-body tabulated potential (n=2,3,4).

Definition at line 47 of file bonded_tab.hpp.

Constructor & Destructor Documentation

TabulatedBond()

TabulatedBond::TabulatedBond ( double  min, double  max, std::vector< double > const &  energy, std::vector< double > const &  force  )

inline

Set the parameters of a bonded tabulated potential.

ia_params and force/energy tables are communicated to each node.

Parameters

min	Position on the x-axis of the first tabulated value.
max	Position on the x-axis of the last tabulated value.
energy	Tabulated energies.
force	Tabulated forces.

Definition at line 58 of file bonded_tab.hpp.

References pot.

Member Data Documentation

pot

std::shared_ptr<TabulatedPotential> TabulatedBond::pot

Definition at line 48 of file bonded_tab.hpp.

Referenced by TabulatedDistanceBond::cutoff(), TabulatedDistanceBond::energy(), TabulatedDihedralBond::energy(), TabulatedAngleBond::energy(), TabulatedDistanceBond::force(), TabulatedDihedralBond::forces(), TabulatedAngleBond::forces(), TabulatedAngleBond::TabulatedAngleBond(), TabulatedBond(), TabulatedDihedralBond::TabulatedDihedralBond(), and TabulatedDistanceBond::TabulatedDistanceBond().

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The documentation for this struct was generated from the following file:

• bonded_tab.hpp