rotate_av_orbitals Subroutine

public subroutine rotate_av_orbitals(av_occ, cref, si, crot)

rotates the orbitals F%LC inside the av_occ(:)%MO subspace such that they best overlap with the orbitals in the av_occ(:)%MO subspace in Cref

Arguments

Type	Intent	Optional	Attributes		Name
type(average_occ),	intent(in)			::	av_occ(:)
real(kind=long),	intent(in),		dimension(:, :)	::	cref
real(kind=long),	intent(in),		dimension(:, :)	::	si
real(kind=long),	intent(inout),		dimension(:, :)	::	crot