born.f90 File Reference

Provides a Born radii integrator. More...

Data Types
type	tblite_solvation_born::born_integrator
	Implementation of GBOBC integrator. More...

Modules
module	tblite_solvation_born
	Integrator for Born radii based on the Onufriev-Bashford-Case model.

Functions/Subroutines
subroutine, public	tblite_solvation_born::new_born_integrator (self, mol, vdwrad, descreening, born_scale, born_offset, obc, rcutoff)
	Create new Born radii integrator.

Variables
real(wp), parameter	tblite_solvation_born::lrcut_default = 35.0_wp * aatoau

Detailed Description

Provides a Born radii integrator.