rinv_gradient Subroutine

public subroutine rinv_gradient(env, atm, bas, first_bf_of_shell, pos, at, gradient)

calculates $$\frac{d}{dR} \chi_i 1/\vec{R}_i \chi_j$$ where R is given by pos(1:3) and has atom index 'at'

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)			::	pos(:)
integer,	intent(in)			::	at
real(kind=long),	intent(out)			::	gradient(:,:,:)