smooth_step.hpp File Reference

Routines to calculate the smooth step potential between particle pairs. More...

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

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Functions
double	SmSt_pair_force_factor (IA_parameters const &ia_params, double dist)
	Calculate smooth step force factor.
double	SmSt_pair_energy (IA_parameters const &ia_params, double dist)
	Calculate smooth step energy.

Detailed Description

Routines to calculate the smooth step potential between particle pairs.

Implementation in smooth_step.cpp.

Definition in file smooth_step.hpp.

Function Documentation

SmSt_pair_energy()

double SmSt_pair_energy ( IA_parameters const &  ia_params, double  dist  )

inline

Calculate smooth step energy.

Definition at line 59 of file smooth_step.hpp.

References SmoothStep_Parameters::cut, SmoothStep_Parameters::d, SmoothStep_Parameters::eps, SmoothStep_Parameters::k0, SmoothStep_Parameters::n, SmoothStep_Parameters::sig, and IA_parameters::smooth_step.

Referenced by calc_non_bonded_pair_energy().

SmSt_pair_force_factor()

double SmSt_pair_force_factor ( IA_parameters const &  ia_params, double  dist  )

inline

Calculate smooth step force factor.

Definition at line 42 of file smooth_step.hpp.

References SmoothStep_Parameters::cut, SmoothStep_Parameters::d, SmoothStep_Parameters::eps, SmoothStep_Parameters::k0, SmoothStep_Parameters::n, SmoothStep_Parameters::sig, IA_parameters::smooth_step, and Utils::sqr().

Referenced by calc_central_radial_force().