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core::scoring::etable::EtableParamsOnePair Struct Reference

EtableParamsOnePair describes all of the parameters for a particular pair of atom types necessary to evaluate the Lennard-Jones and LK solvation energies. More...

#include <Etable.hh>

Public Member Functions

 EtableParamsOnePair ()
 

Public Attributes

Real maxd2
 
bool hydrogen_interaction
 
Real ljrep_linear_ramp_d2_cutoff
 
Real lj_r6_coeff
 
Real lj_r12_coeff
 
Real lj_switch_intercept
 
Real lj_switch_slope
 
Real lj_minimum
 
Real lj_val_at_minimum
 
Real ljatr_cubic_poly_xlo
 
Real ljatr_cubic_poly_xhi
 
numeric::CubicPolynomial ljatr_cubic_poly_parameters
 
ExtraQuadraticRepulsion ljrep_extra_repulsion
 
bool ljrep_from_negcrossing
 
Real lk_coeff1
 
Real lk_coeff2
 
Real lk_min_dis2sigma_value
 
Real fasol_cubic_poly_close_start
 
Real fasol_cubic_poly_close_end
 
numeric::CubicPolynomial fasol_cubic_poly_close
 
Real fasol_cubic_poly_close_flat
 
numeric::CubicPolynomial fasol_cubic_poly_far
 
numeric::CubicPolynomial fasol_cubic_poly1_close
 
Real fasol_cubic_poly1_close_flat
 
numeric::CubicPolynomial fasol_cubic_poly1_far
 
numeric::CubicPolynomial fasol_cubic_poly2_close
 
Real fasol_cubic_poly2_close_flat
 
numeric::CubicPolynomial fasol_cubic_poly2_far
 
Real ljatr_final_weight
 
Real fasol_final_weight
 

Detailed Description

EtableParamsOnePair describes all of the parameters for a particular pair of atom types necessary to evaluate the Lennard-Jones and LK solvation energies.

Constructor & Destructor Documentation

◆ EtableParamsOnePair()

core::scoring::etable::EtableParamsOnePair::EtableParamsOnePair ( )
inline

Member Data Documentation

◆ fasol_cubic_poly1_close

numeric::CubicPolynomial core::scoring::etable::EtableParamsOnePair::fasol_cubic_poly1_close

◆ fasol_cubic_poly1_close_flat

Real core::scoring::etable::EtableParamsOnePair::fasol_cubic_poly1_close_flat

◆ fasol_cubic_poly1_far

numeric::CubicPolynomial core::scoring::etable::EtableParamsOnePair::fasol_cubic_poly1_far

◆ fasol_cubic_poly2_close

numeric::CubicPolynomial core::scoring::etable::EtableParamsOnePair::fasol_cubic_poly2_close

◆ fasol_cubic_poly2_close_flat

Real core::scoring::etable::EtableParamsOnePair::fasol_cubic_poly2_close_flat

◆ fasol_cubic_poly2_far

numeric::CubicPolynomial core::scoring::etable::EtableParamsOnePair::fasol_cubic_poly2_far

◆ fasol_cubic_poly_close

numeric::CubicPolynomial core::scoring::etable::EtableParamsOnePair::fasol_cubic_poly_close

◆ fasol_cubic_poly_close_end

Real core::scoring::etable::EtableParamsOnePair::fasol_cubic_poly_close_end

◆ fasol_cubic_poly_close_flat

Real core::scoring::etable::EtableParamsOnePair::fasol_cubic_poly_close_flat

◆ fasol_cubic_poly_close_start

Real core::scoring::etable::EtableParamsOnePair::fasol_cubic_poly_close_start

◆ fasol_cubic_poly_far

numeric::CubicPolynomial core::scoring::etable::EtableParamsOnePair::fasol_cubic_poly_far

◆ fasol_final_weight

Real core::scoring::etable::EtableParamsOnePair::fasol_final_weight

◆ hydrogen_interaction

bool core::scoring::etable::EtableParamsOnePair::hydrogen_interaction

◆ lj_minimum

Real core::scoring::etable::EtableParamsOnePair::lj_minimum

◆ lj_r12_coeff

Real core::scoring::etable::EtableParamsOnePair::lj_r12_coeff

◆ lj_r6_coeff

Real core::scoring::etable::EtableParamsOnePair::lj_r6_coeff

◆ lj_switch_intercept

Real core::scoring::etable::EtableParamsOnePair::lj_switch_intercept

◆ lj_switch_slope

Real core::scoring::etable::EtableParamsOnePair::lj_switch_slope

◆ lj_val_at_minimum

Real core::scoring::etable::EtableParamsOnePair::lj_val_at_minimum

◆ ljatr_cubic_poly_parameters

numeric::CubicPolynomial core::scoring::etable::EtableParamsOnePair::ljatr_cubic_poly_parameters

◆ ljatr_cubic_poly_xhi

Real core::scoring::etable::EtableParamsOnePair::ljatr_cubic_poly_xhi

◆ ljatr_cubic_poly_xlo

Real core::scoring::etable::EtableParamsOnePair::ljatr_cubic_poly_xlo

◆ ljatr_final_weight

Real core::scoring::etable::EtableParamsOnePair::ljatr_final_weight

◆ ljrep_extra_repulsion

ExtraQuadraticRepulsion core::scoring::etable::EtableParamsOnePair::ljrep_extra_repulsion

◆ ljrep_from_negcrossing

bool core::scoring::etable::EtableParamsOnePair::ljrep_from_negcrossing

◆ ljrep_linear_ramp_d2_cutoff

Real core::scoring::etable::EtableParamsOnePair::ljrep_linear_ramp_d2_cutoff

◆ lk_coeff1

Real core::scoring::etable::EtableParamsOnePair::lk_coeff1

◆ lk_coeff2

Real core::scoring::etable::EtableParamsOnePair::lk_coeff2

◆ lk_min_dis2sigma_value

Real core::scoring::etable::EtableParamsOnePair::lk_min_dis2sigma_value

◆ maxd2

Real core::scoring::etable::EtableParamsOnePair::maxd2

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