Thole_Parameters Struct Reference

Thole potential. More...

#include <nonbonded_interaction_data.hpp>

Public Member Functions
	Thole_Parameters ()=default
	Thole_Parameters (double scaling_coeff, double q1q2)

Public Attributes
double	scaling_coeff = 0.
double	q1q2 = 0.

Detailed Description

Thole potential.

Definition at line 250 of file nonbonded_interaction_data.hpp.

Constructor & Destructor Documentation

Thole_Parameters() [1/2]

Thole_Parameters::Thole_Parameters ( )

default

Thole_Parameters() [2/2]

Thole_Parameters::Thole_Parameters ( double  scaling_coeff, double  q1q2  )

inline

Definition at line 254 of file nonbonded_interaction_data.hpp.

Member Data Documentation

q1q2

double Thole_Parameters::q1q2 = 0.

Definition at line 252 of file nonbonded_interaction_data.hpp.

Referenced by ScriptInterface::Interactions::InteractionThole::InteractionThole(), thole_pair_energy(), and thole_pair_force().

scaling_coeff

double Thole_Parameters::scaling_coeff = 0.

Definition at line 251 of file nonbonded_interaction_data.hpp.

Referenced by ScriptInterface::Interactions::InteractionThole::InteractionThole(), recalc_maximal_cutoff(), thole_pair_energy(), and thole_pair_force().

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

• nonbonded_interaction_data.hpp