i0301.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::i0301(){
/* the cost is 597 */
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;
t1=int_v_zeta34*int_v_ooze;
t2=int_v_oo2zeta12*t1;
t1=(-1)*t2;
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];
double*restrictxx int_v_list001=int_v_list00[1];
t3=int_v_oo2zeta12*int_v_list001[0];
t4=t3+t2;
t2=int_v_W0-int_v_p120;
double*restrictxx int_v_list003=int_v_list00[3];
t3=t2*int_v_list003[0];
t5=int_v_p120-int_v_r10;
t6=t5*int_v_list002[0];
t7=t6+t3;
t3=t2*t7;
t6=t3+t4;
t3=t2*int_v_list002[0];
t8=t5*int_v_list001[0];
t9=t8+t3;
t3=t5*t9;
t8=t3+t6;
t3=0.5*int_v_ooze;
t6=t3*t8;
t10=t3*int_v_list002[0];
t11=int_v_W0-int_v_p340;
t12=t11*int_v_list003[0];
t13=int_v_p340-int_v_r30;
t14=t13*int_v_list002[0];
t15=t14+t12;
t12=t2*t15;
t14=t12+t10;
t12=t11*int_v_list002[0];
t16=t13*int_v_list001[0];
t17=t16+t12;
t12=t5*t17;
t16=t12+t14;
t12=2*int_v_ooze;
t14=int_v_zeta34*t12;
t18=int_v_oo2zeta12*t14;
t14=(-1)*t18;
t18=t14*t16;
t19=t18+t6;
t18=t3*int_v_list001[0];
t20=t2*t17;
t21=t20+t18;
t20=t11*int_v_list001[0];
double*restrictxx int_v_list000=int_v_list00[0];
t22=t13*int_v_list000[0];
t23=t22+t20;
double**restrictxx int_v_list01=int_v_list0[1];
double*restrictxx int_v_list010=int_v_list01[0];
int_v_list010[2]=t23;
t20=t5*t23;
t22=t20+t21;
double***restrictxx int_v_list1=int_v_list(1);
double**restrictxx int_v_list11=int_v_list1[1];
double*restrictxx int_v_list110=int_v_list11[0];
int_v_list110[8]=t22;
t20=int_v_oo2zeta12*2;
t21=t20*t22;
t24=t21+t19;
t19=t3*t7;
t21=t1*t15;
t25=t21+t19;
t26=int_v_oo2zeta12*t17;
t27=t26+t25;
t25=t3*int_v_list003[0];
double*restrictxx int_v_list004=int_v_list00[4];
t28=t11*int_v_list004[0];
t29=t13*int_v_list003[0];
t30=t29+t28;
t28=t2*t30;
t29=t28+t25;
t28=t5*t15;
t31=t28+t29;
t28=t2*t31;
t29=t28+t27;
t27=t5*t16;
t28=t27+t29;
t27=t2*t28;
t29=t27+t24;
t24=t12*0.5;
t12=t24*t9;
t27=t11*t8;
t32=t27+t12;
t12=t1*int_v_list001[0];
t27=int_v_oo2zeta12*int_v_list000[0];
t33=t27+t12;
t12=t2*t9;
t27=t12+t33;
t12=t2*int_v_list001[0];
t34=t5*int_v_list000[0];
t35=t34+t12;
double**restrictxx int_v_list10=int_v_list1[0];
double*restrictxx int_v_list100=int_v_list10[0];
int_v_list100[2]=t35;
t12=t5*t35;
t34=t12+t27;
double***restrictxx int_v_list2=int_v_list(2);
double**restrictxx int_v_list20=int_v_list2[0];
double*restrictxx int_v_list200=int_v_list20[0];
int_v_list200[5]=t34;
t12=t13*t34;
t27=t12+t32;
double**restrictxx int_v_list21=int_v_list2[1];
double*restrictxx int_v_list210=int_v_list21[0];
int_v_list210[17]=t27;
t12=t5*t27;
t32=t12+t29;
double***restrictxx int_v_list3=int_v_list(3);
double**restrictxx int_v_list31=int_v_list3[1];
double*restrictxx int_v_list310=int_v_list31[0];
int_v_list310[29]=t32;
t12=int_v_W2-int_v_p342;
t29=t12*int_v_list003[0];
t36=int_v_p342-int_v_r32;
t37=t36*int_v_list002[0];
t38=t37+t29;
t29=t2*t38;
t37=t12*int_v_list002[0];
t39=t36*int_v_list001[0];
t40=t39+t37;
t37=t5*t40;
t39=t37+t29;
t29=t14*t39;
t37=t2*t40;
t41=t12*int_v_list001[0];
t42=t36*int_v_list000[0];
t43=t42+t41;
int_v_list010[1]=t43;
t41=t5*t43;
t42=t41+t37;
int_v_list110[7]=t42;
t37=t20*t42;
t41=t37+t29;
t29=t1*t38;
t37=int_v_oo2zeta12*t40;
t44=t37+t29;
t45=t12*int_v_list004[0];
t46=t36*int_v_list003[0];
t47=t46+t45;
t45=t2*t47;
t46=t5*t38;
t48=t46+t45;
t45=t2*t48;
t46=t45+t44;
t45=t5*t39;
t49=t45+t46;
t45=t2*t49;
t46=t45+t41;
t41=t12*t8;
t45=t36*t34;
t50=t45+t41;
int_v_list210[16]=t50;
t41=t5*t50;
t45=t41+t46;
int_v_list310[28]=t45;
t41=int_v_W1-int_v_p341;
t46=t41*int_v_list003[0];
t51=int_v_p341-int_v_r31;
t52=t51*int_v_list002[0];
t53=t52+t46;
t46=t2*t53;
t52=t41*int_v_list002[0];
t54=t51*int_v_list001[0];
t55=t54+t52;
t52=t5*t55;
t54=t52+t46;
t46=t14*t54;
t52=t2*t55;
t56=t41*int_v_list001[0];
t57=t51*int_v_list000[0];
t58=t57+t56;
int_v_list010[0]=t58;
t56=t5*t58;
t57=t56+t52;
int_v_list110[6]=t57;
t52=t20*t57;
t56=t52+t46;
t46=t1*t53;
t52=int_v_oo2zeta12*t55;
t59=t52+t46;
t60=t41*int_v_list004[0];
t61=t51*int_v_list003[0];
t62=t61+t60;
t60=t2*t62;
t61=t5*t53;
t63=t61+t60;
t60=t2*t63;
t61=t60+t59;
t60=t5*t54;
t64=t60+t61;
t60=t2*t64;
t61=t60+t56;
t56=t41*t8;
t60=t51*t34;
t65=t60+t56;
int_v_list210[15]=t65;
t56=t5*t65;
t60=t56+t61;
int_v_list310[27]=t60;
t56=int_v_W2-int_v_p122;
t61=t56*t28;
t66=int_v_p122-int_v_r12;
t67=t66*t27;
t68=t67+t61;
int_v_list310[26]=t68;
t61=t56*t49;
t67=t6+t61;
t61=t66*t50;
t69=t61+t67;
int_v_list310[25]=t69;
t61=t56*t64;
t67=t66*t65;
t70=t67+t61;
int_v_list310[24]=t70;
t61=int_v_W1-int_v_p121;
t67=t28*t61;
t28=int_v_p121-int_v_r11;
t71=t28*t27;
t27=t71+t67;
int_v_list310[23]=t27;
t67=t61*t49;
t49=t28*t50;
t50=t49+t67;
int_v_list310[22]=t50;
t49=t61*t64;
t64=t6+t49;
t6=t28*t65;
t49=t6+t64;
int_v_list310[21]=t49;
t6=t1*t16;
t64=int_v_oo2zeta12*t22;
t65=t64+t6;
t6=t56*t31;
t64=t66*t16;
t67=t64+t6;
t6=t56*t67;
t64=t6+t65;
t6=t56*t16;
t67=t66*t22;
t71=t67+t6;
int_v_list210[14]=t71;
t6=t66*t71;
t67=t6+t64;
int_v_list310[20]=t67;
t6=t56*t7;
t64=t66*t9;
t71=t64+t6;
t6=t3*t71;
t64=t1*t39;
t72=t64+t6;
t6=int_v_oo2zeta12*t42;
t73=t6+t72;
t72=t56*t48;
t74=t19+t72;
t72=t66*t39;
t75=t72+t74;
t72=t56*t75;
t74=t72+t73;
t72=t56*t39;
t73=t3*t9;
t75=t73+t72;
t72=t66*t42;
t76=t72+t75;
int_v_list210[13]=t76;
t72=t66*t76;
t75=t72+t74;
int_v_list310[19]=t75;
t72=t1*t54;
t74=int_v_oo2zeta12*t57;
t76=t74+t72;
t77=t56*t63;
t78=t66*t54;
t79=t78+t77;
t77=t56*t79;
t78=t77+t76;
t76=t56*t54;
t77=t66*t57;
t79=t77+t76;
int_v_list210[12]=t79;
t76=t66*t79;
t77=t76+t78;
int_v_list310[18]=t77;
t76=t61*t31;
t31=t28*t16;
t78=t31+t76;
t31=t56*t78;
t76=t61*t16;
t16=t28*t22;
t22=t16+t76;
int_v_list210[11]=t22;
t16=t66*t22;
t76=t16+t31;
int_v_list310[17]=t76;
t16=t61*t7;
t7=t28*t9;
t31=t7+t16;
t7=t3*t31;
t16=t61*t48;
t48=t28*t39;
t79=t48+t16;
t16=t56*t79;
t48=t16+t7;
t16=t61*t39;
t39=t28*t42;
t42=t39+t16;
int_v_list210[10]=t42;
t16=t66*t42;
t39=t16+t48;
int_v_list310[16]=t39;
t16=t61*t63;
t48=t19+t16;
t16=t28*t54;
t19=t16+t48;
t16=t56*t19;
t48=t61*t54;
t54=t73+t48;
t48=t28*t57;
t57=t48+t54;
int_v_list210[9]=t57;
t48=t66*t57;
t54=t48+t16;
int_v_list310[15]=t54;
t16=t61*t78;
t48=t65+t16;
t16=t28*t22;
t22=t16+t48;
int_v_list310[14]=t22;
t16=t6+t64;
t6=t61*t79;
t48=t6+t16;
t6=t28*t42;
t16=t6+t48;
int_v_list310[13]=t16;
t6=t72+t7;
t7=t74+t6;
t6=t61*t19;
t19=t6+t7;
t6=t28*t57;
t7=t6+t19;
int_v_list310[12]=t7;
t6=t56*t15;
t19=t66*t17;
t42=t19+t6;
t6=t14*t42;
t19=t56*t17;
t48=t66*t23;
t57=t48+t19;
int_v_list110[5]=t57;
t19=t20*t57;
t48=t19+t6;
t6=t26+t21;
t19=t56*t30;
t21=t66*t15;
t26=t21+t19;
t19=t56*t26;
t21=t19+t6;
t19=t66*t42;
t26=t19+t21;
t19=t56*t26;
t21=t19+t48;
t19=t56*int_v_list003[0];
t26=t66*int_v_list002[0];
t42=t26+t19;
t19=t56*t42;
t26=t4+t19;
t19=t56*int_v_list002[0];
t48=t66*int_v_list001[0];
t57=t48+t19;
t19=t66*t57;
t48=t19+t26;
t19=t11*t48;
t26=t56*t57;
t63=t33+t26;
t26=t56*int_v_list001[0];
t64=t66*int_v_list000[0];
t65=t64+t26;
int_v_list100[1]=t65;
t26=t66*t65;
t64=t26+t63;
int_v_list200[2]=t64;
t26=t13*t64;
t63=t26+t19;
int_v_list210[8]=t63;
t19=t66*t63;
t26=t19+t21;
int_v_list310[11]=t26;
t19=t56*t38;
t21=t10+t19;
t19=t66*t40;
t63=t19+t21;
t19=t14*t63;
t21=t3*t48;
t72=t21+t19;
t19=t56*t40;
t21=t18+t19;
t19=t66*t43;
t73=t19+t21;
int_v_list110[4]=t73;
t19=t20*t73;
t21=t19+t72;
t19=t3*t42;
t42=t29+t19;
t19=t37+t42;
t29=t56*t47;
t37=t25+t29;
t29=t66*t38;
t42=t29+t37;
t29=t56*t42;
t37=t29+t19;
t19=t66*t63;
t29=t19+t37;
t19=t56*t29;
t29=t19+t21;
t19=t24*t57;
t21=t12*t48;
t37=t21+t19;
t19=t36*t64;
t21=t19+t37;
int_v_list210[7]=t21;
t19=t66*t21;
t21=t19+t29;
int_v_list310[10]=t21;
t19=t56*t53;
t29=t66*t55;
t37=t29+t19;
t19=t14*t37;
t29=t56*t55;
t42=t66*t58;
t63=t42+t29;
int_v_list110[3]=t63;
t29=t20*t63;
t42=t29+t19;
t19=t56*t62;
t29=t66*t53;
t63=t29+t19;
t19=t56*t63;
t29=t59+t19;
t19=t66*t37;
t37=t19+t29;
t19=t56*t37;
t29=t19+t42;
t19=t41*t48;
t37=t51*t64;
t42=t37+t19;
int_v_list210[6]=t42;
t19=t66*t42;
t37=t19+t29;
int_v_list310[9]=t37;
t19=t61*t15;
t29=t28*t17;
t42=t29+t19;
t19=t1*t42;
t29=t61*t17;
t17=t28*t23;
t23=t17+t29;
int_v_list110[2]=t23;
t17=int_v_oo2zeta12*t23;
t29=t17+t19;
t17=t61*t30;
t19=t28*t15;
t15=t19+t17;
t17=t56*t15;
t19=t66*t42;
t30=t19+t17;
t17=t56*t30;
t19=t17+t29;
t17=t56*t42;
t29=t66*t23;
t30=t29+t17;
int_v_list210[5]=t30;
t17=t66*t30;
t29=t17+t19;
int_v_list310[8]=t29;
t17=t61*t38;
t19=t28*t40;
t30=t19+t17;
t17=t1*t30;
t19=t61*int_v_list003[0];
t59=t28*int_v_list002[0];
t63=t59+t19;
t19=t56*t63;
t59=t61*int_v_list002[0];
t72=t28*int_v_list001[0];
t73=t72+t59;
t59=t66*t73;
t72=t59+t19;
t19=t3*t72;
t59=t19+t17;
t17=t61*t40;
t19=t28*t43;
t40=t19+t17;
int_v_list110[1]=t40;
t17=int_v_oo2zeta12*t40;
t19=t17+t59;
t17=t61*t47;
t43=t28*t38;
t38=t43+t17;
t17=t56*t38;
t43=t3*t63;
t47=t43+t17;
t17=t66*t30;
t59=t17+t47;
t17=t56*t59;
t47=t17+t19;
t17=t56*t30;
t19=t3*t73;
t59=t19+t17;
t17=t66*t40;
t19=t17+t59;
int_v_list210[4]=t19;
t17=t66*t19;
t19=t17+t47;
int_v_list310[7]=t19;
t17=t61*t53;
t47=t10+t17;
t10=t28*t55;
t17=t10+t47;
t10=t1*t17;
t47=t61*t55;
t55=t18+t47;
t18=t28*t58;
t47=t18+t55;
int_v_list110[0]=t47;
t18=int_v_oo2zeta12*t47;
t55=t18+t10;
t10=t61*t62;
t18=t25+t10;
t10=t28*t53;
t25=t10+t18;
t10=t56*t25;
t18=t66*t17;
t53=t18+t10;
t10=t56*t53;
t18=t10+t55;
t10=t56*t17;
t53=t66*t47;
t55=t53+t10;
int_v_list210[3]=t55;
t10=t66*t55;
t53=t10+t18;
int_v_list310[6]=t53;
t10=t61*t15;
t15=t6+t10;
t6=t28*t42;
t10=t6+t15;
t6=t56*t10;
t15=t61*t63;
t18=t4+t15;
t4=t28*t73;
t15=t4+t18;
t4=t11*t15;
t11=t61*t73;
t18=t33+t11;
t11=t61*int_v_list001[0];
t33=t28*int_v_list000[0];
t55=t33+t11;
int_v_list100[0]=t55;
t11=t28*t55;
t33=t11+t18;
int_v_list200[0]=t33;
t11=t13*t33;
t13=t11+t4;
int_v_list210[2]=t13;
t4=t66*t13;
t11=t4+t6;
int_v_list310[5]=t11;
t4=t61*t38;
t6=t44+t4;
t4=t28*t30;
t18=t4+t6;
t4=t56*t18;
t6=t3*t15;
t3=t6+t4;
t4=t12*t15;
t12=t36*t33;
t36=t12+t4;
int_v_list210[1]=t36;
t4=t66*t36;
t12=t4+t3;
int_v_list310[4]=t12;
t3=t46+t43;
t4=t52+t3;
t3=t61*t25;
t25=t3+t4;
t3=t28*t17;
t4=t3+t25;
t3=t56*t4;
t25=t24*t73;
t24=t41*t15;
t38=t24+t25;
t24=t51*t33;
t25=t24+t38;
int_v_list210[0]=t25;
t24=t66*t25;
t38=t24+t3;
int_v_list310[3]=t38;
t3=t14*t42;
t24=t20*t23;
t23=t24+t3;
t3=t61*t10;
t10=t3+t23;
t3=t28*t13;
t13=t3+t10;
int_v_list310[2]=t13;
t3=t14*t30;
t10=t20*t40;
t23=t10+t3;
t3=t61*t18;
t10=t3+t23;
t3=t28*t36;
t18=t3+t10;
int_v_list310[1]=t18;
t3=t14*t17;
t10=t6+t3;
t3=t20*t47;
t6=t3+t10;
t3=t61*t4;
t4=t3+t6;
t3=t28*t25;
t6=t3+t4;
int_v_list310[0]=t6;
t3=t14*t9;
t4=t20*t35;
t10=t4+t3;
t3=t2*t8;
t2=t3+t10;
t3=t5*t34;
t4=t3+t2;
double**restrictxx int_v_list30=int_v_list3[0];
double*restrictxx int_v_list300=int_v_list30[0];
int_v_list300[9]=t4;
t2=t56*t8;
t3=t66*t34;
t5=t3+t2;
int_v_list300[8]=t5;
t2=t61*t8;
t3=t28*t34;
t8=t3+t2;
int_v_list300[7]=t8;
t2=t1*t9;
t3=int_v_oo2zeta12*t35;
t10=t3+t2;
t2=t56*t71;
t3=t2+t10;
t2=t56*t9;
t17=t66*t35;
t23=t17+t2;
int_v_list200[4]=t23;
t2=t66*t23;
t17=t2+t3;
int_v_list300[6]=t17;
t2=t56*t31;
t3=t61*t9;
t9=t28*t35;
t23=t9+t3;
int_v_list200[3]=t23;
t3=t66*t23;
t9=t3+t2;
int_v_list300[5]=t9;
t2=t61*t31;
t3=t10+t2;
t2=t28*t23;
t10=t2+t3;
int_v_list300[4]=t10;
t2=t14*t57;
t3=t20*t65;
t23=t3+t2;
t2=t56*t48;
t3=t2+t23;
t2=t66*t64;
t23=t2+t3;
int_v_list300[3]=t23;
t2=t1*t73;
t1=int_v_oo2zeta12*t55;
t3=t1+t2;
t1=t56*t72;
t2=t1+t3;
t1=t56*t73;
t3=t66*t55;
t24=t3+t1;
int_v_list200[1]=t24;
t1=t66*t24;
t3=t1+t2;
int_v_list300[2]=t3;
t1=t56*t15;
t2=t66*t33;
t24=t2+t1;
int_v_list300[1]=t24;
t1=t14*t73;
t2=t20*t55;
t14=t2+t1;
t1=t61*t15;
t2=t1+t14;
t1=t28*t33;
t14=t1+t2;
int_v_list300[0]=t14;
return 1;}