ljcos2.hpp File Reference

Routines to calculate the Lennard-Jones with cosine tail potential between particle pairs. More...

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

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Functions
double	ljcos2_pair_force_factor (IA_parameters const &ia_params, double dist)
	Calculate Lennard-Jones cosine squared force factor.
double	ljcos2_pair_energy (IA_parameters const &ia_params, double dist)
	Calculate Lennard-Jones cosine squared energy.

Detailed Description

Routines to calculate the Lennard-Jones with cosine tail potential between particle pairs.

Cosine tail is different from that in ljcos.hpp. Used for attractive tail/tail interactions in lipid bilayer calculations.

Implementation in ljcos2.cpp.

Definition in file ljcos2.hpp.

Function Documentation

ljcos2_pair_energy()

double ljcos2_pair_energy ( IA_parameters const &  ia_params, double  dist  )

inline

Calculate Lennard-Jones cosine squared energy.

Definition at line 66 of file ljcos2.hpp.

References LJcos2_Parameters::cut, LJcos2_Parameters::eps, IA_parameters::ljcos2, LJcos2_Parameters::offset, LJcos2_Parameters::rchange, LJcos2_Parameters::sig, Utils::sqr(), and LJcos2_Parameters::w.

Referenced by calc_non_bonded_pair_energy().

ljcos2_pair_force_factor()

double ljcos2_pair_force_factor ( IA_parameters const &  ia_params, double  dist  )

inline

Calculate Lennard-Jones cosine squared force factor.

Definition at line 46 of file ljcos2.hpp.

References LJcos2_Parameters::cut, LJcos2_Parameters::eps, IA_parameters::ljcos2, LJcos2_Parameters::offset, LJcos2_Parameters::rchange, LJcos2_Parameters::sig, and LJcos2_Parameters::w.

Referenced by calc_central_radial_force().