1 Subroutine hfctr3(Axyz,Bxyz,Cxyz,alpha,G,NABC) 2c $Id$ 3 4 Implicit real*8 (a-h,o-z) 5 Implicit integer (i-n) 6 7 Dimension Axyz(3),Bxyz(3),Cxyz(3) 8 9 Dimension alpha(4,NABC),G(3,NABC) 10c 11c Define the center of the charge distribution formed by the product of 12c three Gaussians. 13c 14c****************************************************************************** 15 16 Ax = Axyz(1) 17 Ay = Axyz(2) 18 Az = Axyz(3) 19 20 Bx = Bxyz(1) 21 By = Bxyz(2) 22 Bz = Bxyz(3) 23 24 Cx = Cxyz(1) 25 Cy = Cxyz(2) 26 Cz = Cxyz(3) 27 28 do 10 m = 1,NABC 29 30 A = alpha(1,m) 31 B = alpha(2,m) 32 C = alpha(3,m) 33 34 ABCI = 1/(A + B + C) 35 36 G(1,m) = ABCI*(A*Ax + B*Bx + C*Cx) 37 G(2,m) = ABCI*(A*Ay + B*By + C*Cy) 38 G(3,m) = ABCI*(A*Az + B*Bz + C*Cz) 39 40 10 continue 41 42 end 43