fix_orbitals_on_nuclei Subroutine

public subroutine fix_orbitals_on_nuclei(p, b, f, mo_index, nuc_index)

find the best permutation of orbitals specified in MO_index such that sum(gross_pop(MO_index(:),nuc_index(:))) is maximized

Arguments

Type	Intent	Optional	Attributes		Name
type(param),	intent(in)			::	p
type(basis),	intent(in)			::	b
type(wf_data),	intent(inout)			::	f
integer,	intent(in)			::	mo_index(:)
integer,	intent(in)			::	nuc_index(:)