i0202.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::i0202(){
/* the cost is 636 */
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;
double t85;
double t86;
double t87;
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=t3*int_v_list002[0];
double*restrictxx int_v_list001=int_v_list00[1];
t9=t5*int_v_list001[0];
t10=t9+t6;
t6=int_v_p120-int_v_r10;
t9=t6*t10;
t11=t9+t8;
t8=int_v_ooze*2;
t9=0.5*t8;
t8=t9*t11;
t12=int_v_zeta12*int_v_ooze;
t13=int_v_oo2zeta34*t12;
t12=t13*(-1);
t13=t12*int_v_list002[0];
t14=int_v_oo2zeta34*int_v_list001[0];
t15=t14+t13;
t13=t3*t7;
t14=t13+t15;
t13=t5*t10;
t16=t13+t14;
t13=int_v_zeta34*int_v_ooze;
t14=int_v_oo2zeta12*t13;
t13=(-1)*t14;
t14=t13*t16;
t17=t14+t8;
t8=t12*int_v_list001[0];
double*restrictxx int_v_list000=int_v_list00[0];
t18=int_v_oo2zeta34*int_v_list000[0];
t19=t18+t8;
t8=t3*t10;
t18=t8+t19;
t8=t3*int_v_list001[0];
t20=t5*int_v_list000[0];
t21=t20+t8;
double**restrictxx int_v_list01=int_v_list0[1];
double*restrictxx int_v_list010=int_v_list01[0];
int_v_list010[2]=t21;
t8=t5*t21;
t20=t8+t18;
double**restrictxx int_v_list02=int_v_list0[2];
double*restrictxx int_v_list020=int_v_list02[0];
int_v_list020[5]=t20;
t8=int_v_oo2zeta12*t20;
t18=t8+t17;
t17=t9*t7;
t22=t12*int_v_list003[0];
t12=int_v_oo2zeta34*int_v_list002[0];
t23=t12+t22;
double*restrictxx int_v_list004=int_v_list00[4];
t12=t3*int_v_list004[0];
t22=t5*int_v_list003[0];
t24=t22+t12;
t12=t3*t24;
t3=t12+t23;
t12=t5*t7;
t5=t12+t3;
t3=t4*t5;
t12=t3+t17;
t3=t6*t16;
t17=t3+t12;
t3=t4*t17;
t12=t3+t18;
t3=t9*t10;
t18=t4*t16;
t22=t18+t3;
t3=t6*t20;
t18=t3+t22;
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]=t18;
t3=t6*t18;
t22=t3+t12;
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]=t22;
t3=int_v_W2-int_v_p342;
t12=t3*int_v_list003[0];
t25=int_v_p342-int_v_r32;
t26=t25*int_v_list002[0];
t27=t26+t12;
t12=t4*t27;
t26=t3*int_v_list002[0];
t28=t25*int_v_list001[0];
t29=t28+t26;
t26=t6*t29;
t28=t26+t12;
t12=t1*t28;
t26=t3*t7;
t30=t25*t10;
t31=t30+t26;
t26=t13*t31;
t30=t26+t12;
t32=t3*t10;
t33=t25*t21;
t34=t33+t32;
int_v_list020[4]=t34;
t32=int_v_oo2zeta12*t34;
t33=t32+t30;
t30=t1*t27;
t35=t3*t24;
t36=t25*t7;
t37=t36+t35;
t35=t4*t37;
t36=t35+t30;
t35=t6*t31;
t38=t35+t36;
t35=t4*t38;
t36=t35+t33;
t33=t3*t11;
t35=t1*int_v_list001[0];
t39=t4*t10;
t40=t39+t35;
t39=t6*t21;
t41=t39+t40;
double**restrictxx int_v_list11=int_v_list1[1];
double*restrictxx int_v_list110=int_v_list11[0];
int_v_list110[8]=t41;
t39=t25*t41;
t40=t39+t33;
int_v_list120[16]=t40;
t33=t6*t40;
t39=t33+t36;
int_v_list220[34]=t39;
t33=int_v_W1-int_v_p341;
t36=t33*int_v_list003[0];
t42=int_v_p341-int_v_r31;
t43=t42*int_v_list002[0];
t44=t43+t36;
t36=t4*t44;
t43=t33*int_v_list002[0];
t45=t42*int_v_list001[0];
t46=t45+t43;
t43=t6*t46;
t45=t43+t36;
t36=t1*t45;
t43=t33*t7;
t47=t42*t10;
t48=t47+t43;
t43=t13*t48;
t47=t43+t36;
t49=t33*t10;
t50=t42*t21;
t51=t50+t49;
int_v_list020[3]=t51;
t49=int_v_oo2zeta12*t51;
t50=t49+t47;
t47=t1*t44;
t52=t33*t24;
t24=t42*t7;
t53=t24+t52;
t24=t4*t53;
t52=t24+t47;
t24=t6*t48;
t54=t24+t52;
t24=t4*t54;
t52=t24+t50;
t24=t33*t11;
t50=t42*t41;
t55=t50+t24;
int_v_list120[15]=t55;
t24=t6*t55;
t50=t24+t52;
int_v_list220[33]=t50;
t24=t3*t27;
t52=t15+t24;
t24=t25*t29;
t56=t24+t52;
t24=t13*t56;
t52=t3*t29;
t57=t19+t52;
t52=t3*int_v_list001[0];
t58=t25*int_v_list000[0];
t59=t58+t52;
int_v_list010[1]=t59;
t52=t25*t59;
t58=t52+t57;
int_v_list020[2]=t58;
t52=int_v_oo2zeta12*t58;
t57=t52+t24;
t60=t3*int_v_list004[0];
t61=t25*int_v_list003[0];
t62=t61+t60;
t60=t3*t62;
t61=t23+t60;
t60=t25*t27;
t62=t60+t61;
t60=t4*t62;
t61=t6*t56;
t63=t61+t60;
t60=t4*t63;
t61=t60+t57;
t60=t4*t56;
t64=t6*t58;
t65=t64+t60;
int_v_list120[14]=t65;
t60=t6*t65;
t64=t60+t61;
int_v_list220[32]=t64;
t60=t3*t44;
t61=t25*t46;
t66=t61+t60;
t60=t13*t66;
t61=t3*t46;
t67=t33*int_v_list001[0];
t68=t42*int_v_list000[0];
t69=t68+t67;
int_v_list010[0]=t69;
t67=t25*t69;
t68=t67+t61;
int_v_list020[1]=t68;
t61=int_v_oo2zeta12*t68;
t67=t61+t60;
t70=t33*int_v_list004[0];
t71=t42*int_v_list003[0];
t72=t71+t70;
t70=t3*t72;
t71=t25*t44;
t73=t71+t70;
t70=t4*t73;
t71=t6*t66;
t74=t71+t70;
t70=t4*t74;
t71=t70+t67;
t67=t4*t66;
t70=t6*t68;
t75=t70+t67;
int_v_list120[13]=t75;
t67=t6*t75;
t70=t67+t71;
int_v_list220[31]=t70;
t67=t33*t44;
t71=t15+t67;
t15=t42*t46;
t67=t15+t71;
t15=t13*t67;
t71=t33*t46;
t76=t19+t71;
t19=t42*t69;
t71=t19+t76;
int_v_list020[0]=t71;
t19=int_v_oo2zeta12*t71;
t76=t19+t15;
t77=t33*t72;
t33=t23+t77;
t23=t42*t44;
t42=t23+t33;
t23=t4*t42;
t33=t6*t67;
t72=t33+t23;
t23=t4*t72;
t33=t23+t76;
t23=t4*t67;
t77=t6*t71;
t78=t77+t23;
int_v_list120[12]=t78;
t23=t6*t78;
t77=t23+t33;
int_v_list220[30]=t77;
t23=int_v_W2-int_v_p122;
t33=t23*t17;
t79=int_v_p122-int_v_r12;
t80=t79*t18;
t81=t80+t33;
int_v_list220[29]=t81;
t33=t1*t11;
t80=t23*t38;
t82=t80+t33;
t80=t79*t40;
t83=t80+t82;
int_v_list220[28]=t83;
t80=t23*t54;
t82=t79*t55;
t84=t82+t80;
int_v_list220[27]=t84;
t80=t9*t28;
t82=t23*t63;
t85=t82+t80;
t80=t79*t65;
t82=t80+t85;
int_v_list220[26]=t82;
t80=t23*t74;
t85=t36+t80;
t36=t79*t75;
t80=t36+t85;
int_v_list220[25]=t80;
t36=t23*t72;
t85=t79*t78;
t86=t85+t36;
int_v_list220[24]=t86;
t36=int_v_W1-int_v_p121;
t85=t17*t36;
t17=int_v_p121-int_v_r11;
t87=t17*t18;
t18=t87+t85;
int_v_list220[23]=t18;
t85=t36*t38;
t38=t17*t40;
t40=t38+t85;
int_v_list220[22]=t40;
t38=t36*t54;
t54=t33+t38;
t33=t17*t55;
t38=t33+t54;
int_v_list220[21]=t38;
t33=t36*t63;
t54=t17*t65;
t55=t54+t33;
int_v_list220[20]=t55;
t33=t36*t74;
t54=t12+t33;
t12=t17*t75;
t33=t12+t54;
int_v_list220[19]=t33;
t12=t9*t45;
t54=t36*t72;
t63=t54+t12;
t12=t17*t78;
t54=t12+t63;
int_v_list220[18]=t54;
t12=t8+t14;
t8=t23*t5;
t14=t79*t16;
t63=t14+t8;
t8=t23*t63;
t14=t8+t12;
t8=t23*t16;
t63=t79*t20;
t65=t63+t8;
int_v_list120[11]=t65;
t8=t79*t65;
t63=t8+t14;
int_v_list220[17]=t63;
t8=t23*t7;
t14=t79*t10;
t65=t14+t8;
t8=t1*t65;
t14=t26+t8;
t8=t32+t14;
t14=t23*t37;
t72=t1*t7;
t74=t72+t14;
t14=t79*t31;
t75=t14+t74;
t14=t23*t75;
t74=t14+t8;
t8=t23*t31;
t14=t1*t10;
t75=t14+t8;
t8=t79*t34;
t78=t8+t75;
int_v_list120[10]=t78;
t8=t79*t78;
t75=t8+t74;
int_v_list220[16]=t75;
t8=t49+t43;
t74=t23*t53;
t78=t79*t48;
t85=t78+t74;
t74=t23*t85;
t78=t74+t8;
t8=t23*t48;
t74=t79*t51;
t85=t74+t8;
int_v_list120[9]=t85;
t8=t79*t85;
t74=t8+t78;
int_v_list220[15]=t74;
t8=t23*t27;
t78=t2+t8;
t8=t79*t29;
t85=t8+t78;
t8=t9*t85;
t78=t24+t8;
t8=t52+t78;
t24=t9*t27;
t52=t23*t62;
t78=t52+t24;
t24=t79*t56;
t52=t24+t78;
t24=t23*t52;
t52=t24+t8;
t8=t9*t29;
t24=t23*t56;
t78=t24+t8;
t8=t79*t58;
t24=t8+t78;
int_v_list120[8]=t24;
t8=t79*t24;
t24=t8+t52;
int_v_list220[14]=t24;
t8=t23*t44;
t52=t79*t46;
t78=t52+t8;
t8=t1*t78;
t52=t60+t8;
t8=t61+t52;
t52=t23*t73;
t87=t47+t52;
t47=t79*t66;
t52=t47+t87;
t47=t23*t52;
t52=t47+t8;
t8=t23*t66;
t47=t1*t46;
t87=t47+t8;
t8=t79*t68;
t47=t8+t87;
int_v_list120[7]=t47;
t8=t79*t47;
t47=t8+t52;
int_v_list220[13]=t47;
t8=t23*t42;
t52=t79*t67;
t68=t52+t8;
t8=t23*t68;
t52=t76+t8;
t8=t23*t67;
t68=t79*t71;
t76=t68+t8;
int_v_list120[6]=t76;
t8=t79*t76;
t68=t8+t52;
int_v_list220[12]=t68;
t8=t36*t5;
t5=t17*t16;
t52=t5+t8;
t5=t23*t52;
t8=t36*t16;
t16=t17*t20;
t20=t16+t8;
int_v_list120[5]=t20;
t8=t79*t20;
t16=t8+t5;
int_v_list220[11]=t16;
t5=t36*t37;
t8=t17*t31;
t37=t8+t5;
t5=t23*t37;
t8=t36*t7;
t7=t17*t10;
t76=t7+t8;
t7=t1*t76;
t8=t7+t5;
t5=t36*t31;
t31=t17*t34;
t34=t31+t5;
int_v_list120[4]=t34;
t5=t79*t34;
t31=t5+t8;
int_v_list220[10]=t31;
t5=t36*t53;
t8=t72+t5;
t5=t17*t48;
t53=t5+t8;
t5=t23*t53;
t8=t36*t48;
t48=t14+t8;
t8=t17*t51;
t14=t8+t48;
int_v_list120[3]=t14;
t8=t79*t14;
t48=t8+t5;
int_v_list220[9]=t48;
t5=t36*t27;
t8=t17*t29;
t27=t8+t5;
t5=t9*t27;
t8=t36*t62;
t51=t17*t56;
t62=t51+t8;
t8=t23*t62;
t51=t8+t5;
t5=t36*t56;
t8=t17*t58;
t56=t8+t5;
int_v_list120[2]=t56;
t5=t79*t56;
t8=t5+t51;
int_v_list220[8]=t8;
t5=t36*t44;
t51=t2+t5;
t2=t17*t46;
t5=t2+t51;
t2=t1*t5;
t51=t36*t73;
t58=t30+t51;
t30=t17*t66;
t51=t30+t58;
t30=t23*t51;
t58=t30+t2;
t2=t3*t5;
t3=t36*t46;
t30=t35+t3;
t3=t17*t69;
t66=t3+t30;
int_v_list110[0]=t66;
t3=t25*t66;
t25=t3+t2;
int_v_list120[1]=t25;
t2=t79*t25;
t3=t2+t58;
int_v_list220[7]=t3;
t2=t9*t44;
t30=t36*t42;
t42=t30+t2;
t2=t17*t67;
t30=t2+t42;
t2=t23*t30;
t42=t9*t46;
t44=t36*t67;
t58=t44+t42;
t42=t17*t71;
t44=t42+t58;
int_v_list120[0]=t44;
t42=t79*t44;
t58=t42+t2;
int_v_list220[6]=t58;
t2=t36*t52;
t42=t12+t2;
t2=t17*t20;
t12=t2+t42;
int_v_list220[5]=t12;
t2=t32+t26;
t20=t36*t37;
t26=t20+t2;
t2=t17*t34;
t20=t2+t26;
int_v_list220[4]=t20;
t2=t43+t7;
t7=t49+t2;
t2=t36*t53;
t26=t2+t7;
t2=t17*t14;
t7=t2+t26;
int_v_list220[3]=t7;
t2=t36*t62;
t14=t57+t2;
t2=t17*t56;
t26=t2+t14;
int_v_list220[2]=t26;
t2=t1*t27;
t14=t60+t2;
t2=t61+t14;
t14=t36*t51;
t32=t14+t2;
t2=t17*t25;
t14=t2+t32;
int_v_list220[1]=t14;
t2=t9*t5;
t9=t15+t2;
t2=t19+t9;
t9=t36*t30;
t15=t9+t2;
t2=t17*t44;
t9=t2+t15;
int_v_list220[0]=t9;
t2=t4*int_v_list002[0];
t15=t6*int_v_list001[0];
t19=t15+t2;
t2=t1*t19;
t15=t13*t10;
t25=t15+t2;
t30=int_v_oo2zeta12*t21;
t32=t30+t25;
t25=t4*t11;
t34=t25+t32;
t25=t6*t41;
t32=t25+t34;
double**restrictxx int_v_list21=int_v_list2[1];
double*restrictxx int_v_list210=int_v_list21[0];
int_v_list210[17]=t32;
t25=t13*t29;
t34=int_v_oo2zeta12*t59;
t37=t34+t25;
t42=t4*t28;
t43=t42+t37;
t42=t4*t29;
t44=t6*t59;
t49=t44+t42;
int_v_list110[7]=t49;
t42=t6*t49;
t44=t42+t43;
int_v_list210[16]=t44;
t42=t13*t46;
t43=int_v_oo2zeta12*t69;
t51=t43+t42;
t52=t4*t45;
t53=t52+t51;
t52=t4*t46;
t56=t6*t69;
t57=t56+t52;
int_v_list110[6]=t57;
t52=t6*t57;
t56=t52+t53;
int_v_list210[15]=t56;
t52=t23*t11;
t53=t79*t41;
t60=t53+t52;
int_v_list210[14]=t60;
t52=t23*t28;
t53=t2+t52;
t52=t79*t49;
t61=t52+t53;
int_v_list210[13]=t61;
t52=t23*t45;
t53=t79*t57;
t62=t53+t52;
int_v_list210[12]=t62;
t52=t36*t11;
t11=t17*t41;
t41=t11+t52;
int_v_list210[11]=t41;
t11=t36*t28;
t28=t17*t49;
t49=t28+t11;
int_v_list210[10]=t49;
t11=t36*t45;
t28=t2+t11;
t2=t17*t57;
t11=t2+t28;
int_v_list210[9]=t11;
t2=t30+t15;
t15=t23*t65;
t28=t15+t2;
t15=t23*t10;
t30=t79*t21;
t45=t30+t15;
int_v_list110[5]=t45;
t15=t79*t45;
t30=t15+t28;
int_v_list210[8]=t30;
t15=t23*int_v_list002[0];
t28=t79*int_v_list001[0];
t45=t28+t15;
t15=t1*t45;
t28=t25+t15;
t15=t34+t28;
t25=t23*t85;
t28=t25+t15;
t15=t23*t29;
t25=t35+t15;
t15=t79*t59;
t34=t15+t25;
int_v_list110[4]=t34;
t15=t79*t34;
t25=t15+t28;
int_v_list210[7]=t25;
t15=t23*t78;
t28=t51+t15;
t15=t23*t46;
t34=t79*t69;
t35=t34+t15;
int_v_list110[3]=t35;
t15=t79*t35;
t34=t15+t28;
int_v_list210[6]=t34;
t15=t23*t76;
t28=t36*t10;
t10=t17*t21;
t21=t10+t28;
int_v_list110[2]=t21;
t10=t79*t21;
t28=t10+t15;
int_v_list210[5]=t28;
t10=t23*t27;
t15=t36*int_v_list002[0];
t35=t17*int_v_list001[0];
t46=t35+t15;
t15=t1*t46;
t1=t15+t10;
t10=t36*t29;
t29=t17*t59;
t35=t29+t10;
int_v_list110[1]=t35;
t10=t79*t35;
t29=t10+t1;
int_v_list210[4]=t29;
t1=t23*t5;
t10=t79*t66;
t51=t10+t1;
int_v_list210[3]=t51;
t1=t36*t76;
t10=t2+t1;
t1=t17*t21;
t2=t1+t10;
int_v_list210[2]=t2;
t1=t36*t27;
t10=t37+t1;
t1=t17*t35;
t21=t1+t10;
int_v_list210[1]=t21;
t1=t42+t15;
t10=t43+t1;
t1=t36*t5;
t5=t1+t10;
t1=t17*t66;
t10=t1+t5;
int_v_list210[0]=t10;
t1=t13*int_v_list001[0];
t5=int_v_oo2zeta12*int_v_list000[0];
t13=t5+t1;
t1=t4*t19;
t5=t1+t13;
t1=t4*int_v_list001[0];
t4=t6*int_v_list000[0];
t15=t4+t1;
double**restrictxx int_v_list10=int_v_list1[0];
double*restrictxx int_v_list100=int_v_list10[0];
int_v_list100[2]=t15;
t1=t6*t15;
t4=t1+t5;
double**restrictxx int_v_list20=int_v_list2[0];
double*restrictxx int_v_list200=int_v_list20[0];
int_v_list200[5]=t4;
t1=t23*t19;
t5=t79*t15;
t6=t5+t1;
int_v_list200[4]=t6;
t1=t36*t19;
t5=t17*t15;
t15=t5+t1;
int_v_list200[3]=t15;
t1=t23*t45;
t5=t13+t1;
t1=t23*int_v_list001[0];
t19=t79*int_v_list000[0];
t27=t19+t1;
int_v_list100[1]=t27;
t1=t79*t27;
t19=t1+t5;
int_v_list200[2]=t19;
t1=t23*t46;
t5=t36*int_v_list001[0];
t23=t17*int_v_list000[0];
t27=t23+t5;
int_v_list100[0]=t27;
t5=t79*t27;
t23=t5+t1;
int_v_list200[1]=t23;
t1=t36*t46;
t5=t13+t1;
t1=t17*t27;
t13=t1+t5;
int_v_list200[0]=t13;
return 1;}