ljcos.hpp File Reference

Routines to calculate the Lennard-Jones+cosine 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>

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Functions
double	ljcos_pair_force_factor (IA_parameters const &ia_params, double dist)
	Calculate Lennard-Jones cosine force factor.
double	ljcos_pair_energy (IA_parameters const &ia_params, double dist)
	Calculate Lennard-Jones cosine energy.

Detailed Description

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

Implementation in ljcos.cpp.

Definition in file ljcos.hpp.

Function Documentation

ljcos_pair_energy()

double ljcos_pair_energy ( IA_parameters const &  ia_params, double  dist  )

inline

Calculate Lennard-Jones cosine energy.

Definition at line 63 of file ljcos.hpp.

References LJcos_Parameters::alfa, LJcos_Parameters::beta, LJcos_Parameters::cut, LJcos_Parameters::eps, IA_parameters::ljcos, LJcos_Parameters::offset, LJcos_Parameters::rmin, LJcos_Parameters::sig, and Utils::sqr().

Referenced by calc_non_bonded_pair_energy().

ljcos_pair_force_factor()

double ljcos_pair_force_factor ( IA_parameters const &  ia_params, double  dist  )

inline

Calculate Lennard-Jones cosine force factor.

Definition at line 42 of file ljcos.hpp.

References LJcos_Parameters::alfa, LJcos_Parameters::beta, LJcos_Parameters::cut, LJcos_Parameters::eps, IA_parameters::ljcos, LJcos_Parameters::offset, LJcos_Parameters::rmin, LJcos_Parameters::sig, and Utils::sqr().

Referenced by calc_central_radial_force().