morse.hpp File Reference

Routines to calculate the Morse potential between particle pairs. More...

#include "config/config.hpp"
#include "nonbonded_interaction_data.hpp"
#include <utils/math/sqr.hpp>
#include <cmath>

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Functions
double	morse_pair_force_factor (IA_parameters const &ia_params, double dist)
	Calculate Morse force factor.
double	morse_pair_energy (IA_parameters const &ia_params, double dist)
	Calculate Morse energy.

Detailed Description

Routines to calculate the Morse potential between particle pairs.

Implementation in morse.cpp.

Definition in file morse.hpp.

Function Documentation

morse_pair_energy()

double morse_pair_energy ( IA_parameters const &  ia_params, double  dist  )

inline

Calculate Morse energy.

Definition at line 53 of file morse.hpp.

References Morse_Parameters::alpha, Morse_Parameters::cut, Morse_Parameters::eps, IA_parameters::morse, Morse_Parameters::rest, Morse_Parameters::rmin, and Utils::sqr().

Referenced by calc_non_bonded_pair_energy().

morse_pair_force_factor()

double morse_pair_force_factor ( IA_parameters const &  ia_params, double  dist  )

inline

Calculate Morse force factor.

Definition at line 41 of file morse.hpp.

References Morse_Parameters::alpha, Morse_Parameters::cut, Morse_Parameters::eps, IA_parameters::morse, Morse_Parameters::rmin, and Utils::sqr().

Referenced by calc_central_radial_force().