surface.f90 File Reference

Provides a surface integrator. More...

Data Types
type	tblite_solvation_surface::surface_integrator

Modules
module	tblite_solvation_surface
	Surface integrator for solvent accessible surface area.

Functions/Subroutines
subroutine, public	tblite_solvation_surface::new_surface_integrator (self, num, rad, probe, nang, offset, smoothing)
	Initialize data straucture.

Variables
real(wp), parameter	tblite_solvation_surface::tolsesp = 1.e-6_wp
	real space cut-offs

Detailed Description

Provides a surface integrator.