i1212ab.cc

大型并行量子化学软件；支持密度泛函（DFT）。可以进行各种量子化学计算。支持CHARMM并行计算。非常具有应用价值。

#include <chemistry/qc/oint3/build.h>
int sc::BuildIntV3::i1212eAB(){
/* the cost is 382 */
double t1;
double t2;
double t3;
double t4;
double t5;
double t6;
double t7;
double t8;
double t9;
double t10;
double t11;
double t12;
double t13;
double t14;
double t15;
double t16;
double t17;
double t18;
double t19;
double t20;
double t21;
double t22;
double t23;
double t24;
double t25;
double t26;
double t27;
double t28;
double t29;
double t30;
double t31;
double t32;
double t33;
double t34;
double t35;
double t36;
double t37;
double t38;
double t39;
double t40;
double t41;
double t42;
double t43;
double t44;
double t45;
double t46;
double t47;
double t48;
double t49;
double t50;
double t51;
double t52;
double t53;
double t54;
double t55;
double t56;
double t57;
double t58;
double t59;
double t60;
double t61;
double t62;
double t63;
double t64;
double t65;
double t66;
double t67;
double t68;
double t69;
double t70;
double t71;
double t72;
double t73;
double t74;
double t75;
double t76;
double t77;
double t78;
double t79;
double t80;
double t81;
double t82;
double t83;
double t84;
t1=0.5*int_v_ooze;
double***restrictxx int_v_list0=int_v_list(0);
double**restrictxx int_v_list00=int_v_list0[0];
double*restrictxx int_v_list002=int_v_list00[2];
t2=t1*int_v_list002[0];
t3=int_v_W0-int_v_p340;
double*restrictxx int_v_list003=int_v_list00[3];
t4=t3*int_v_list003[0];
t5=int_v_p340-int_v_r30;
t6=t5*int_v_list002[0];
t7=t6+t4;
t4=int_v_W0-int_v_p120;
t6=t4*t7;
t8=t6+t2;
t6=int_v_ooze*2;
t9=0.5*t6;
t6=t9*t8;
t10=int_v_zeta12*int_v_ooze;
t11=int_v_oo2zeta34*t10;
t10=t11*(-1);
t11=t10*int_v_list002[0];
double*restrictxx int_v_list001=int_v_list00[1];
t12=int_v_oo2zeta34*int_v_list001[0];
t13=t12+t11;
t11=t3*t7;
t12=t11+t13;
t11=t3*int_v_list002[0];
t14=t5*int_v_list001[0];
t15=t14+t11;
t11=t5*t15;
t14=t11+t12;
t11=int_v_zeta34*int_v_ooze;
t12=int_v_oo2zeta12*t11;
t11=(-1)*t12;
t12=t11*t14;
t16=t12+t6;
t6=t10*int_v_list001[0];
double*restrictxx int_v_list000=int_v_list00[0];
t17=int_v_oo2zeta34*int_v_list000[0];
t18=t17+t6;
t6=t3*t15;
t17=t6+t18;
t6=t3*int_v_list001[0];
t19=t5*int_v_list000[0];
t20=t19+t6;
t6=t5*t20;
t19=t6+t17;
t6=int_v_oo2zeta12*t19;
t17=t6+t16;
t16=t9*t7;
t19=t10*int_v_list003[0];
t10=int_v_oo2zeta34*int_v_list002[0];
t21=t10+t19;
double*restrictxx int_v_list004=int_v_list00[4];
t10=t3*int_v_list004[0];
t19=t5*int_v_list003[0];
t22=t19+t10;
t10=t3*t22;
t3=t10+t21;
t10=t5*t7;
t5=t10+t3;
t3=t4*t5;
t10=t3+t16;
t3=t4*t10;
t16=t3+t17;
double***restrictxx int_v_list2=int_v_list(2);
double**restrictxx int_v_list22=int_v_list2[2];
double*restrictxx int_v_list220=int_v_list22[0];
int_v_list220[35]=t16;
t3=int_v_W2-int_v_p342;
t17=t3*int_v_list003[0];
t19=int_v_p342-int_v_r32;
t23=t19*int_v_list002[0];
t24=t23+t17;
t17=t4*t24;
t23=t1*t17;
t25=t3*t7;
t26=t19*t15;
t27=t26+t25;
t25=t11*t27;
t26=t25+t23;
t28=t3*t15;
t29=t19*t20;
t30=t29+t28;
t28=int_v_oo2zeta12*t30;
t29=t28+t26;
t26=t1*t24;
t30=t3*t22;
t31=t19*t7;
t32=t31+t30;
t30=t4*t32;
t31=t30+t26;
t30=t4*t31;
t33=t30+t29;
int_v_list220[34]=t33;
t29=int_v_W1-int_v_p341;
t30=t29*int_v_list003[0];
t34=int_v_p341-int_v_r31;
t35=t34*int_v_list002[0];
t36=t35+t30;
t30=t4*t36;
t35=t1*t30;
t37=t29*t7;
t38=t34*t15;
t39=t38+t37;
t37=t11*t39;
t38=t37+t35;
t40=t29*t15;
t41=t34*t20;
t42=t41+t40;
t40=int_v_oo2zeta12*t42;
t41=t40+t38;
t38=t1*t36;
t42=t29*t22;
t22=t34*t7;
t43=t22+t42;
t22=t4*t43;
t42=t22+t38;
t22=t4*t42;
t44=t22+t41;
int_v_list220[33]=t44;
t22=t3*t24;
t41=t13+t22;
t22=t3*int_v_list002[0];
t45=t19*int_v_list001[0];
t46=t45+t22;
t22=t19*t46;
t45=t22+t41;
t22=t11*t45;
t41=t3*t46;
t47=t18+t41;
t41=t3*int_v_list001[0];
t48=t19*int_v_list000[0];
t49=t48+t41;
t41=t19*t49;
t48=t41+t47;
t41=int_v_oo2zeta12*t48;
t47=t41+t22;
t48=t3*int_v_list004[0];
t50=t19*int_v_list003[0];
t51=t50+t48;
t48=t3*t51;
t50=t21+t48;
t48=t19*t24;
t51=t48+t50;
t48=t4*t51;
t50=t4*t48;
t52=t50+t47;
int_v_list220[32]=t52;
t50=t3*t36;
t53=t29*int_v_list002[0];
t54=t34*int_v_list001[0];
t55=t54+t53;
t53=t19*t55;
t54=t53+t50;
t50=t11*t54;
t53=t3*t55;
t56=t29*int_v_list001[0];
t57=t34*int_v_list000[0];
t58=t57+t56;
t56=t19*t58;
t57=t56+t53;
t53=int_v_oo2zeta12*t57;
t56=t53+t50;
t57=t29*int_v_list004[0];
t59=t34*int_v_list003[0];
t60=t59+t57;
t57=t3*t60;
t3=t19*t36;
t19=t3+t57;
t3=t4*t19;
t57=t4*t3;
t59=t57+t56;
int_v_list220[31]=t59;
t56=t29*t36;
t57=t13+t56;
t13=t34*t55;
t56=t13+t57;
t13=t11*t56;
t57=t29*t55;
t61=t18+t57;
t18=t34*t58;
t57=t18+t61;
t18=int_v_oo2zeta12*t57;
t57=t18+t13;
t61=t29*t60;
t29=t21+t61;
t21=t34*t36;
t34=t21+t29;
t21=t4*t34;
t29=t4*t21;
t60=t29+t57;
int_v_list220[30]=t60;
t29=int_v_W2-int_v_p122;
t61=t29*t10;
int_v_list220[29]=t61;
t62=t1*t8;
t63=t29*t31;
t64=t63+t62;
int_v_list220[28]=t64;
t63=t29*t42;
int_v_list220[27]=t63;
t65=t9*t17;
t66=t29*t48;
t67=t66+t65;
int_v_list220[26]=t67;
t65=t29*t3;
t66=t35+t65;
int_v_list220[25]=t66;
t35=t29*t21;
int_v_list220[24]=t35;
t65=int_v_W1-int_v_p121;
t68=t10*t65;
int_v_list220[23]=t68;
t10=t65*t31;
int_v_list220[22]=t10;
t31=t65*t42;
t42=t62+t31;
int_v_list220[21]=t42;
t31=t65*t48;
int_v_list220[20]=t31;
t48=t65*t3;
t3=t23+t48;
int_v_list220[19]=t3;
t23=t9*t30;
t48=t65*t21;
t21=t48+t23;
int_v_list220[18]=t21;
t23=t6+t12;
t6=t29*t5;
t12=t29*t6;
t6=t12+t23;
int_v_list220[17]=t6;
t12=t29*t7;
t48=t1*t12;
t62=t25+t48;
t48=t28+t62;
t62=t29*t32;
t69=t1*t7;
t70=t69+t62;
t62=t29*t70;
t70=t62+t48;
int_v_list220[16]=t70;
t48=t40+t37;
t62=t29*t43;
t71=t29*t62;
t62=t71+t48;
int_v_list220[15]=t62;
t48=t29*t24;
t71=t2+t48;
t48=t9*t71;
t72=t22+t48;
t22=t41+t72;
t41=t9*t24;
t48=t29*t51;
t72=t48+t41;
t41=t29*t72;
t48=t41+t22;
int_v_list220[14]=t48;
t22=t29*t36;
t41=t1*t22;
t72=t50+t41;
t41=t53+t72;
t72=t29*t19;
t73=t38+t72;
t38=t29*t73;
t72=t38+t41;
int_v_list220[13]=t72;
t38=t29*t34;
t41=t29*t38;
t38=t57+t41;
int_v_list220[12]=t38;
t41=t65*t5;
t5=t29*t41;
int_v_list220[11]=t5;
t57=t65*t32;
t32=t29*t57;
t73=t65*t7;
t7=t1*t73;
t74=t7+t32;
int_v_list220[10]=t74;
t32=t65*t43;
t43=t69+t32;
t32=t29*t43;
int_v_list220[9]=t32;
t69=t65*t24;
t24=t9*t69;
t75=t65*t51;
t51=t29*t75;
t76=t51+t24;
int_v_list220[8]=t76;
t24=t65*t36;
t51=t2+t24;
t2=t1*t51;
t24=t65*t19;
t19=t26+t24;
t24=t29*t19;
t26=t24+t2;
int_v_list220[7]=t26;
t2=t9*t36;
t24=t65*t34;
t34=t24+t2;
t2=t29*t34;
int_v_list220[6]=t2;
t24=t65*t41;
t36=t23+t24;
int_v_list220[5]=t36;
t23=t28+t25;
t24=t65*t57;
t25=t24+t23;
int_v_list220[4]=t25;
t23=t37+t7;
t7=t40+t23;
t23=t65*t43;
t24=t23+t7;
int_v_list220[3]=t24;
t7=t65*t75;
t23=t47+t7;
int_v_list220[2]=t23;
t7=t1*t69;
t28=t50+t7;
t7=t53+t28;
t28=t65*t19;
t19=t28+t7;
int_v_list220[1]=t19;
t7=t9*t51;
t28=t13+t7;
t7=t18+t28;
t13=t65*t34;
t18=t13+t7;
int_v_list220[0]=t18;
t7=t4*int_v_list002[0];
t13=t1*t7;
t7=t11*t15;
t28=t7+t13;
t34=int_v_oo2zeta12*t20;
t20=t34+t28;
t28=t4*t8;
t37=t28+t20;
double**restrictxx int_v_list21=int_v_list2[1];
double*restrictxx int_v_list210=int_v_list21[0];
int_v_list210[17]=t37;
t20=t11*t46;
t28=int_v_oo2zeta12*t49;
t40=t28+t20;
t41=t4*t17;
t43=t41+t40;
int_v_list210[16]=t43;
t41=t11*t55;
t11=int_v_oo2zeta12*t58;
t47=t11+t41;
t49=t4*t30;
t50=t49+t47;
int_v_list210[15]=t50;
t49=t29*t8;
int_v_list210[14]=t49;
t53=t29*t17;
t57=t13+t53;
int_v_list210[13]=t57;
t53=t29*t30;
int_v_list210[12]=t53;
t58=t65*t8;
int_v_list210[11]=t58;
t8=t65*t17;
int_v_list210[10]=t8;
t17=t65*t30;
t30=t13+t17;
int_v_list210[9]=t30;
t13=t34+t7;
t7=t29*t12;
t12=t7+t13;
int_v_list210[8]=t12;
t7=t29*int_v_list002[0];
t17=t1*t7;
t7=t20+t17;
t17=t28+t7;
t7=t29*t71;
t20=t7+t17;
int_v_list210[7]=t20;
t7=t29*t22;
t17=t47+t7;
int_v_list210[6]=t17;
t7=t29*t73;
int_v_list210[5]=t7;
t22=t29*t69;
t28=t65*int_v_list002[0];
t34=t1*t28;
t28=t34+t22;
int_v_list210[4]=t28;
t22=t29*t51;
int_v_list210[3]=t22;
t47=t65*t73;
t71=t13+t47;
int_v_list210[2]=t71;
t13=t65*t69;
t47=t40+t13;
int_v_list210[1]=t47;
t13=t41+t34;
t34=t11+t13;
t11=t65*t51;
t13=t11+t34;
int_v_list210[0]=t13;
t11=t9*t15;
t34=t4*t14;
t40=t34+t11;
double***restrictxx int_v_list1=int_v_list(1);
double**restrictxx int_v_list12=int_v_list1[2];
double*restrictxx int_v_list120=int_v_list12[0];
int_v_list120[17]=t40;
t11=t1*t46;
t34=t4*t27;
t41=t34+t11;
int_v_list120[16]=t41;
t34=t1*t55;
t51=t4*t39;
t69=t51+t34;
int_v_list120[15]=t69;
t51=t4*t45;
int_v_list120[14]=t51;
t73=t4*t54;
int_v_list120[13]=t73;
t75=t4*t56;
int_v_list120[12]=t75;
t77=t29*t14;
int_v_list120[11]=t77;
t78=t29*t27;
t79=t1*t15;
t80=t79+t78;
int_v_list120[10]=t80;
t78=t29*t39;
int_v_list120[9]=t78;
t81=t9*t46;
t82=t29*t45;
t83=t82+t81;
int_v_list120[8]=t83;
t81=t29*t54;
t82=t34+t81;
int_v_list120[7]=t82;
t34=t29*t56;
int_v_list120[6]=t34;
t81=t65*t14;
int_v_list120[5]=t81;
t14=t65*t27;
int_v_list120[4]=t14;
t27=t65*t39;
t39=t79+t27;
int_v_list120[3]=t39;
t27=t65*t45;
int_v_list120[2]=t27;
t45=t65*t54;
t54=t11+t45;
int_v_list120[1]=t54;
t11=t9*t55;
t9=t65*t56;
t45=t9+t11;
int_v_list120[0]=t45;
t9=t1*int_v_list001[0];
t1=t4*t15;
t11=t1+t9;
double**restrictxx int_v_list11=int_v_list1[1];
double*restrictxx int_v_list110=int_v_list11[0];
int_v_list110[8]=t11;
t1=t4*t46;
int_v_list110[7]=t1;
t56=t4*t55;
int_v_list110[6]=t56;
t4=t29*t15;
int_v_list110[5]=t4;
t79=t29*t46;
t84=t9+t79;
int_v_list110[4]=t84;
t79=t29*t55;
int_v_list110[3]=t79;
t29=t65*t15;
int_v_list110[2]=t29;
t15=t65*t46;
int_v_list110[1]=t15;
t46=t65*t55;
t55=t9+t46;
int_v_list110[0]=t55;
return 1;}