RDKit: ForceFields::UFF::Params Namespace Reference

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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().