tblite_results::results_type Type Reference

Results container. More...

Data Fields
real(wp), dimension(:), allocatable	energies
	Atom-resolved energies.
real(wp), dimension(:, :), allocatable	overlap
	Overlap integrals.
real(wp), dimension(:, :), allocatable	hamiltonian
	(Core) Hamiltonian integrals
type(double_dictionary_type), allocatable	dict

Detailed Description

Results container.

---

The documentation for this type was generated from the following file:

• /home/runner/work/tblite/tblite/src/tblite/results.f90