soft_sphere.hpp File Reference

Routines to calculate the soft-sphere potential between particle pairs. More...

#include "config/config.hpp"
#include "nonbonded_interaction_data.hpp"
#include <cmath>

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Functions
double	soft_pair_force_factor (IA_parameters const &ia_params, double dist)
	Calculate soft-sphere force factor.
double	soft_pair_energy (IA_parameters const &ia_params, double dist)
	Calculate soft-sphere energy.

Detailed Description

Routines to calculate the soft-sphere potential between particle pairs.

Implementation in soft_sphere.cpp

Definition in file soft_sphere.hpp.

Function Documentation

soft_pair_energy()

double soft_pair_energy ( IA_parameters const &  ia_params, double  dist  )

inline

Calculate soft-sphere energy.

Definition at line 53 of file soft_sphere.hpp.

References SoftSphere_Parameters::a, SoftSphere_Parameters::max_cutoff(), SoftSphere_Parameters::n, SoftSphere_Parameters::offset, and IA_parameters::soft_sphere.

Referenced by calc_non_bonded_pair_energy().

soft_pair_force_factor()

double soft_pair_force_factor ( IA_parameters const &  ia_params, double  dist  )

inline

Calculate soft-sphere force factor.

Definition at line 39 of file soft_sphere.hpp.

References SoftSphere_Parameters::a, SoftSphere_Parameters::max_cutoff(), SoftSphere_Parameters::n, SoftSphere_Parameters::offset, and IA_parameters::soft_sphere.

Referenced by calc_central_radial_force().