calculate_overlap_gaussian_basis_set Subroutine

public subroutine calculate_overlap_gaussian_basis_set(env, atm, bas, first_bf_of_shell, s)

computes the overlap matrix

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(out)			::	s(:,:)