nonbonded_tab.hpp File Reference

Routines to calculate the energy and/or force for particle pairs via interpolation of lookup tables. More...

#include "config/config.hpp"
#include "TabulatedPotential.hpp"
#include "nonbonded_interactions/nonbonded_interaction_data.hpp"
#include <utils/Vector.hpp>
#include <vector>

Include dependency graph for nonbonded_tab.hpp:

This graph shows which files directly or indirectly include this file:

Go to the source code of this file.

Functions
double	tabulated_pair_force_factor (IA_parameters const &ia_params, double dist)
	Calculate a non-bonded pair force factor by linear interpolation from a table.
double	tabulated_pair_energy (IA_parameters const &ia_params, double dist)
	Calculate a non-bonded pair energy by linear interpolation from a table.

Detailed Description

Routines to calculate the energy and/or force for particle pairs via interpolation of lookup tables.

Needs feature TABULATED compiled in (see config.hpp).

Definition in file nonbonded_tab.hpp.

Function Documentation

tabulated_pair_energy()

double tabulated_pair_energy ( IA_parameters const &  ia_params, double  dist  )

inline

Calculate a non-bonded pair energy by linear interpolation from a table.

Definition at line 54 of file nonbonded_tab.hpp.

References TabulatedPotential::cutoff(), TabulatedPotential::energy(), and IA_parameters::tab.

Referenced by calc_non_bonded_pair_energy().

tabulated_pair_force_factor()

double tabulated_pair_force_factor ( IA_parameters const &  ia_params, double  dist  )

inline

Calculate a non-bonded pair force factor by linear interpolation from a table.

Definition at line 45 of file nonbonded_tab.hpp.

References TabulatedPotential::cutoff(), TabulatedPotential::force(), and IA_parameters::tab.

Referenced by calc_central_radial_force().