type.f90 File Reference

Provides data types for managing basis set information. More...

Data Types
type	tblite_basis_type::cgto_type
	Contracted Gaussian type basis function. More...
type	tblite_basis_type::basis_type
	Collection of information regarding the basis set of a system. More...
interface	tblite_basis_type::get_cutoff
	Get optimal real space cutoff for integral evaluation. More...

Modules
module	tblite_basis_type
	Gaussian type basis set data.

Functions/Subroutines
subroutine, public	tblite_basis_type::new_basis (self, mol, nshell, cgto, acc)
	Create a new basis set.
pure real(wp) function, public	tblite_basis_type::get_cutoff (self, acc)
	Determine required real space cutoff for the basis set.

Detailed Description

Provides data types for managing basis set information.