upf_types.F File Reference

#include "../base/base_uses.f90"

Go to the source code of this file.

Data Types
type	upf_types::upf_partial_waves_type
type	upf_types::atom_upfpot_type

Modules
module	upf_types
	Owned UPF dataset and radial conventions shared by ATOM and Quickstep. Dataset availability does not select an orbital representation or calculation method.

Functions/Subroutines
real(dp) function, dimension(size(pot%r)), public	upf_types::upf_radial_weights (pot)
	Composite Simpson weights for dr on the supplied UPF mesh index.
pure logical function, public	upf_types::upf_has_complete_partial_waves (pot)
	Check for a complete projector-indexed pair of original AE and PS waves.
pure subroutine, public	upf_types::upf_release (pot)
	Release every owned field and reset metadata before reusing a dataset.