gaussian.hpp File Reference

Routines to calculate the Gaussian 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	gaussian_pair_force_factor (IA_parameters const &ia_params, double dist)
	Calculate Gaussian force factor.
double	gaussian_pair_energy (IA_parameters const &ia_params, double dist)
	Calculate Gaussian energy.

Detailed Description

Routines to calculate the Gaussian potential between particle pairs.

Implementation in gaussian.cpp.

Definition in file core/nonbonded_interactions/gaussian.hpp.

Function Documentation

gaussian_pair_energy()

double gaussian_pair_energy ( IA_parameters const &  ia_params, double  dist  )

inline

Calculate Gaussian energy.

Definition at line 51 of file core/nonbonded_interactions/gaussian.hpp.

References Gaussian_Parameters::cut, Gaussian_Parameters::eps, IA_parameters::gaussian, Gaussian_Parameters::sig, and Utils::sqr().

Referenced by calc_non_bonded_pair_energy().

gaussian_pair_force_factor()

double gaussian_pair_force_factor ( IA_parameters const &  ia_params, double  dist  )

inline

Calculate Gaussian force factor.

Definition at line 41 of file core/nonbonded_interactions/gaussian.hpp.

References Gaussian_Parameters::cut, Gaussian_Parameters::eps, IA_parameters::gaussian, Gaussian_Parameters::sig, and Utils::sqr().

Referenced by calc_central_radial_force().