get_open_shell Function

public pure function get_open_shell(nI) result(res)

Return only the SOMOs.

Arguments

Type IntentOptional Attributes Name
integer, intent(in) :: nI(:)

Determinant in nI format.

Return Value integer, allocatable, (:)

The singly occupied orbitals. Result can be empty, i.e. allocated but size == 0.


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