soft-sphere potential More...

#include <nonbonded_interaction_data.hpp>

Public Member Functions
	SoftSphere_Parameters ()=default

	SoftSphere_Parameters (double a, double n, double cutoff, double offset)

double	max_cutoff () const

Public Attributes
double	a = 0.0

double	n = 0.0

double	cut = inactive_cutoff

double	offset = 0.0

Detailed Description

soft-sphere potential

Definition at line 182 of file nonbonded_interaction_data.hpp.

Constructor & Destructor Documentation

◆ SoftSphere_Parameters() [1/2]

SoftSphere_Parameters::SoftSphere_Parameters ( )

default

◆ SoftSphere_Parameters() [2/2]

SoftSphere_Parameters::SoftSphere_Parameters	(	double	a,
		double	n,
		double	cutoff,
		double	offset
	)

Definition at line 33 of file soft_sphere.cpp.

References a, and offset.

Member Function Documentation

◆ max_cutoff()

double SoftSphere_Parameters::max_cutoff ( ) const

inline

Definition at line 189 of file nonbonded_interaction_data.hpp.

References cut, and offset.

Referenced by recalc_maximal_cutoff(), soft_pair_energy(), and soft_pair_force_factor().

Member Data Documentation

◆ a

double SoftSphere_Parameters::a = 0.0

Definition at line 183 of file nonbonded_interaction_data.hpp.

Referenced by ScriptInterface::Interactions::InteractionSoftSphere::InteractionSoftSphere(), soft_pair_energy(), soft_pair_force_factor(), and SoftSphere_Parameters().

◆ cut

double SoftSphere_Parameters::cut = inactive_cutoff

Definition at line 185 of file nonbonded_interaction_data.hpp.

Referenced by ScriptInterface::Interactions::InteractionSoftSphere::InteractionSoftSphere(), and max_cutoff().

◆ n

double SoftSphere_Parameters::n = 0.0

Definition at line 184 of file nonbonded_interaction_data.hpp.

Referenced by ScriptInterface::Interactions::InteractionSoftSphere::InteractionSoftSphere(), soft_pair_energy(), and soft_pair_force_factor().

◆ offset

double SoftSphere_Parameters::offset = 0.0

Definition at line 186 of file nonbonded_interaction_data.hpp.

Referenced by ScriptInterface::Interactions::InteractionSoftSphere::InteractionSoftSphere(), max_cutoff(), soft_pair_energy(), soft_pair_force_factor(), and SoftSphere_Parameters().

The documentation for this struct was generated from the following files:

Public Member Functions

Public Attributes