Rosetta  2021.16
 All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Friends Macros Pages
Public Member Functions | Public Attributes | List of all members
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

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

Member Data Documentation

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

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