halogen.f90 File Reference

Provides a classical halogen bonding correction. More...

Data Types
type	tblite_classical_halogen::halogen_correction
	Container for evaluating halogen bonding energy terms by a classical potential. More...

Modules
module	tblite_classical_halogen
	Classical correction term for halogen bonding contributions.

Functions/Subroutines
subroutine, public	tblite_classical_halogen::new_halogen_correction (self, mol, damping, rad_scale, bond_strength, rad, cutoff)
	Construct new halogen bonding correction.

Variables
real(wp), parameter	tblite_classical_halogen::alp = 6.0_wp

Detailed Description

Provides a classical halogen bonding correction.