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ForceFields::UFF::Params Namespace Reference

Variables

const double lambda = 0.1332
 scaling factor for rBO correction More...
 
const double G = 332.06
 bond force constant prefactor More...
 
const double amideBondOrder
 special case bond order for amide C-N bonds. More...
 

Variable Documentation

const double ForceFields::UFF::Params::amideBondOrder
Initial value:
=
1.41

special case bond order for amide C-N bonds.

Definition at line 89 of file UFF/Params.h.

const double ForceFields::UFF::Params::G = 332.06

bond force constant prefactor

Definition at line 88 of file UFF/Params.h.

const double ForceFields::UFF::Params::lambda = 0.1332

scaling factor for rBO correction

Definition at line 87 of file UFF/Params.h.

Referenced by BFGSOpt::linearSearch().