construct_fock_matrix_direct Subroutine

public subroutine construct_fock_matrix_direct(env, atm, bas, first_bf_of_shell, dmat, h0, fout, accuracy)

This procedure constructs the RHF Fock Matrix assumes that density matrix is symmetric

Arguments

Type	Intent	Optional	Attributes		Name
real(kind=long),	intent(in)			::	env(:)
integer,	intent(in)			::	atm(:,:)
integer,	intent(in)			::	bas(:,:)
integer,	intent(in)			::	first_bf_of_shell(:)
real(kind=long),	intent(in)			::	dmat(:,:)
real(kind=long),	intent(in)			::	h0(:,:)
real(kind=long),	intent(out)			::	fout(:,:)
real(kind=long),		optional		::	accuracy