data.f90 File Reference

Provides element specific data. More...

Data Types
interface	tblite_solvation_data::solvent_data
	Solvent specific parameters. More...
interface	tblite_solvation_data::get_vdw_rad_d3
	Get D3 van-der-Waals radius for a species. More...
interface	tblite_solvation_data::get_vdw_rad_cosmo
	Get COSMO van-der-Waals radius for a species. More...
interface	tblite_solvation_data::get_vdw_rad_bondi
	Get Bondi van-der-Waals radius for a species. More...

Modules
module	tblite_solvation_data
	Element specific data for solvation models.

Functions/Subroutines
pure type(solvent_data) function, public	tblite_solvation_data::get_solvent_data (solvent)
	Get solvent parameters, in case the solvent is not known the ideal conductor is assumed.

Detailed Description

Provides element specific data.