1C $Id: ecp_int2.F 19696 2010-10-29 16:53:42Z d3y133 $ 2 subroutine ecp_int2_k( 3 R r_bc,r_ac,pre, 4 G gam,zeta_c,zeta_b,zeta_a, 5 B bet,alp,bi,ai, 6 N n_co,n_prim_b,n_prim_a,i_z) 7 implicit none 8 integer n_co,n_prim_b,n_prim_a 9 integer i_z 10 double precision r_bc,r_ac,pre(*) 11 double precision gam(*),zeta_c(*),zeta_b(*),zeta_a(*) 12 double precision bet(*),alp(*),bi(*),ai(*) 13c 14 integer i,i_c,i_b,i_a 15 double precision log_prefactor 16 double precision rz_b,r2z_b 17 i = 1 18!DEC$ LOOP COUNT MAX=30, MIN=2 19 do i_c = 0,n_co-1 20!DEC$ LOOP COUNT MAX=100, MIN=10 21 do i_b = 1,n_prim_b 22 rz_b=R_bc*zeta_b(i_b) 23 r2z_b=rz_b*R_bc 24!DEC$ LOOP COUNT MAX=100, MIN=10 25 do i_a = 1,n_prim_a 26 gam(i) = 1d0/sqrt(zeta_c(i_z+i_c)+zeta_b(i_b) 27 & +zeta_a(i_a)) 28 bet(i) = rz_b*gam(i) 29 alp(i) = R_ac*zeta_a(i_a)*gam(i) 30 bi(i) = 0.5d0/rz_b 31 ai(i) = 1d0/(2d0*R_ac*zeta_a(i_a)) 32 pre(i) = exp( 33 E (alp(i)+bet(i))**2 34 & -zeta_a(i_a)*R_ac**2 35 & -r2z_b) 36 i = i+1 37 enddo 38 enddo 39 enddo 40 return 41 end 42