two_electron_gradient_rohf Subroutine

public subroutine two_electron_gradient_rohf(env, atm, bas, first_bf_of_shell, da, db, gradient)

returns the gradient resulting from two-electron contributions for ROHF

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)			::	da(:,:)
real(kind=long),	intent(in)			::	db(:,:)
real(kind=long),	intent(out)			::	gradient(:)