transform_twoel_three_core_one_virtual Subroutine

public subroutine transform_twoel_three_core_one_virtual(p, b, f, core, virtual, output)

transform all 2el matrix elements into MO space only those where two electrons are member of the array core and two electrons are in the array virtual (as required for CIS)

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)			::	core(:)
integer,	intent(in)			::	virtual(:)
integer,	intent(in)			::	output