type.f90 File Reference

Provides a wavefunction type for holding density-related information. More...

Data Types
type	tblite_wavefunction_type::wavefunction_type
	Tight-binding wavefunction. More...

Modules
module	tblite_wavefunction_type
	Declaration of a tight-binding wavefunction.

Functions/Subroutines
subroutine, public	tblite_wavefunction_type::new_wavefunction (self, nat, nsh, nao, nspin, kt, grad)
subroutine, public	tblite_wavefunction_type::get_density_matrix (focc, coeff, pmat)
subroutine, public	tblite_wavefunction_type::get_alpha_beta_occupation (nocc, nuhf, nalp, nbet)
	Split an real occupation number into alpha and beta space.

Detailed Description

Provides a wavefunction type for holding density-related information.