construct_overlap2minimalbasis Subroutine

public subroutine construct_overlap2minimalbasis(p, a, g, b, f)

prepares the overlap matrix of the current molecular orbitals to a minimal orbital set based on numerical atomic orbitals

Arguments

Type	Intent	Optional	Attributes		Name
type(param),	intent(in)			::	p
type(atom_set),	intent(in)			::	a(:)
type(grid3d),	intent(in)			::	g
type(basis),	intent(in)			::	b
type(wf_data),	intent(inout)			::	f