84 INTEGER,
DIMENSION(3) :: an, cn, bn
87 INTEGER,
DIMENSION(3),
PARAMETER :: i1 = (/1, 0, 0/), i2 = (/0, 1, 0/), &
91 IF (any(an < 0))
RETURN
92 IF (any(bn < 0))
RETURN
93 IF (any(cn < 0))
RETURN
95 IF (sum(an + cn + bn) == 0)
THEN
102 ELSEIF (bn(2) > 0)
THEN
104 ELSEIF (bn(3) > 0)
THEN
109 ELSEIF (cn(2) > 0)
THEN
111 ELSEIF (cn(3) > 0)
THEN
117 ELSEIF (an(2) > 0)
THEN
120 ELSEIF (an(3) > 0)
THEN
subroutine, public init_os_overlap3(ya, yb, yc, ra, rb, rc)
Calculation of three-center integrals over Cartesian Gaussian-type functions.