construct_mov_matrix2 Subroutine

public subroutine construct_mov_matrix2(p, a, b, f, du, m)

this subroutine returns the matrix $$M_{ij c}= \sum_o^{\text{occ orbitals}} \sum_{k}^{\text{virt. orbitals}} \frac{d u_{ko} ({\bf R}) }{d {\bf R}} \left( 4 (i j | k o) - (i k | j o) - (i o | j k) \right)$$ idea: employ a density difference and screen low contributions

Arguments

Type	Intent	Optional	Attributes		Name
type(param),	intent(in)			::	p
type(atom_set),	intent(in)			::	a(:)
type(basis),	intent(in)			::	b
type(wf_data),	intent(in)			::	f
real(kind=long),	intent(in),		dimension(:, :, :)	::	du
real(kind=long),	intent(out),		dimension(:, :, :)	::	m