i2301.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::i2301(){
/* the cost is 559 */
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;
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;
t20=t5*t23;
t22=t20+t21;
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;
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;
t41=t5*t43;
t42=t41+t37;
t37=t20*t42;
t41=t37+t29;
t29=t1*t38;
t37=int_v_oo2zeta12*t40;
t44=t37+t29;
t29=t12*int_v_list004[0];
t37=t36*int_v_list003[0];
t45=t37+t29;
t29=t2*t45;
t37=t5*t38;
t46=t37+t29;
t29=t2*t46;
t37=t29+t44;
t29=t5*t39;
t47=t29+t37;
t29=t2*t47;
t37=t29+t41;
t29=t12*t8;
t41=t36*t34;
t48=t41+t29;
int_v_list210[16]=t48;
t29=t5*t48;
t41=t29+t37;
int_v_list310[28]=t41;
t29=int_v_W1-int_v_p341;
t37=t29*int_v_list003[0];
t49=int_v_p341-int_v_r31;
t50=t49*int_v_list002[0];
t51=t50+t37;
t37=t2*t51;
t50=t29*int_v_list002[0];
t52=t49*int_v_list001[0];
t53=t52+t50;
t50=t5*t53;
t52=t50+t37;
t37=t14*t52;
t50=t2*t53;
t54=t29*int_v_list001[0];
t55=t49*int_v_list000[0];
t56=t55+t54;
t54=t5*t56;
t55=t54+t50;
t50=t20*t55;
t54=t50+t37;
t37=t1*t51;
t50=int_v_oo2zeta12*t53;
t57=t50+t37;
t58=t29*int_v_list004[0];
t59=t49*int_v_list003[0];
t60=t59+t58;
t58=t2*t60;
t59=t5*t51;
t61=t59+t58;
t58=t2*t61;
t59=t58+t57;
t57=t5*t52;
t58=t57+t59;
t57=t2*t58;
t59=t57+t54;
t54=t29*t8;
t57=t49*t34;
t62=t57+t54;
int_v_list210[15]=t62;
t54=t5*t62;
t57=t54+t59;
int_v_list310[27]=t57;
t54=int_v_W2-int_v_p122;
t59=t54*t28;
t63=int_v_p122-int_v_r12;
t64=t63*t27;
t65=t64+t59;
int_v_list310[26]=t65;
t59=t54*t47;
t64=t6+t59;
t59=t63*t48;
t66=t59+t64;
int_v_list310[25]=t66;
t59=t54*t58;
t64=t63*t62;
t67=t64+t59;
int_v_list310[24]=t67;
t59=int_v_W1-int_v_p121;
t64=t28*t59;
t28=int_v_p121-int_v_r11;
t68=t28*t27;
t27=t68+t64;
int_v_list310[23]=t27;
t64=t59*t47;
t47=t28*t48;
t48=t47+t64;
int_v_list310[22]=t48;
t47=t59*t58;
t58=t6+t47;
t6=t28*t62;
t47=t6+t58;
int_v_list310[21]=t47;
t6=t1*t16;
t58=int_v_oo2zeta12*t22;
t62=t58+t6;
t6=t54*t31;
t58=t63*t16;
t64=t58+t6;
t6=t54*t64;
t58=t6+t62;
t6=t54*t16;
t64=t63*t22;
t68=t64+t6;
int_v_list210[14]=t68;
t6=t63*t68;
t64=t6+t58;
int_v_list310[20]=t64;
t6=t54*t7;
t58=t63*t9;
t68=t58+t6;
t6=t3*t68;
t58=t1*t39;
t69=t58+t6;
t6=int_v_oo2zeta12*t42;
t70=t6+t69;
t69=t54*t46;
t71=t19+t69;
t69=t63*t39;
t72=t69+t71;
t69=t54*t72;
t71=t69+t70;
t69=t54*t39;
t70=t3*t9;
t72=t70+t69;
t69=t63*t42;
t73=t69+t72;
int_v_list210[13]=t73;
t69=t63*t73;
t72=t69+t71;
int_v_list310[19]=t72;
t69=t1*t52;
t71=int_v_oo2zeta12*t55;
t73=t71+t69;
t74=t54*t61;
t75=t63*t52;
t76=t75+t74;
t74=t54*t76;
t75=t74+t73;
t73=t54*t52;
t74=t63*t55;
t76=t74+t73;
int_v_list210[12]=t76;
t73=t63*t76;
t74=t73+t75;
int_v_list310[18]=t74;
t73=t59*t31;
t31=t28*t16;
t75=t31+t73;
t31=t54*t75;
t73=t59*t16;
t16=t28*t22;
t22=t16+t73;
int_v_list210[11]=t22;
t16=t63*t22;
t73=t16+t31;
int_v_list310[17]=t73;
t16=t59*t7;
t7=t28*t9;
t31=t7+t16;
t7=t3*t31;
t16=t59*t46;
t46=t28*t39;
t76=t46+t16;
t16=t54*t76;
t46=t16+t7;
t16=t59*t39;
t39=t28*t42;
t42=t39+t16;
int_v_list210[10]=t42;
t16=t63*t42;
t39=t16+t46;
int_v_list310[16]=t39;
t16=t59*t61;
t46=t19+t16;
t16=t28*t52;
t19=t16+t46;
t16=t54*t19;
t46=t59*t52;
t52=t70+t46;
t46=t28*t55;
t55=t46+t52;
int_v_list210[9]=t55;
t46=t63*t55;
t52=t46+t16;
int_v_list310[15]=t52;
t16=t59*t75;
t46=t62+t16;
t16=t28*t22;
t22=t16+t46;
int_v_list310[14]=t22;
t16=t6+t58;
t6=t59*t76;
t46=t6+t16;
t6=t28*t42;
t16=t6+t46;
int_v_list310[13]=t16;
t6=t69+t7;
t7=t71+t6;
t6=t59*t19;
t19=t6+t7;
t6=t28*t55;
t7=t6+t19;
int_v_list310[12]=t7;
t6=t54*int_v_list003[0];
t19=t63*int_v_list002[0];
t42=t19+t6;
t6=t14*t42;
t19=t54*int_v_list002[0];
t46=t63*int_v_list001[0];
t55=t46+t19;
t19=t20*t55;
t46=t19+t6;
t6=t54*int_v_list004[0];
t19=t63*int_v_list003[0];
t58=t19+t6;
t6=t54*t58;
t19=t1*int_v_list003[0];
t58=int_v_oo2zeta12*int_v_list002[0];
t61=t58+t19;
t19=t61+t6;
t6=t63*t42;
t58=t6+t19;
t6=t54*t58;
t19=t6+t46;
t6=t54*t42;
t42=t4+t6;
t6=t63*t55;
t46=t6+t42;
t6=t63*t46;
t42=t6+t19;
t6=t11*t42;
t19=t14*t55;
t58=t54*int_v_list001[0];
t61=t63*int_v_list000[0];
t62=t61+t58;
t58=t20*t62;
t61=t58+t19;
t19=t54*t46;
t58=t19+t61;
t19=t54*t55;
t61=t33+t19;
t19=t63*t62;
t62=t19+t61;
int_v_list200[2]=t62;
t19=t63*t62;
t61=t19+t58;
double**restrictxx int_v_list30=int_v_list3[0];
double*restrictxx int_v_list300=int_v_list30[0];
int_v_list300[3]=t61;
t19=t13*t61;
t58=t19+t6;
int_v_list310[11]=t58;
t6=3*int_v_ooze;
t19=t6*0.5;
t6=t19*t46;
t19=t12*t42;
t69=t19+t6;
t6=t36*t61;
t19=t6+t69;
int_v_list310[10]=t19;
t6=t29*t42;
t42=t49*t61;
t61=t42+t6;
int_v_list310[9]=t61;
t6=t59*t15;
t42=t28*t17;
t69=t42+t6;
t6=t1*t69;
t42=t59*t17;
t17=t28*t23;
t23=t17+t42;
t17=int_v_oo2zeta12*t23;
t42=t17+t6;
t6=t59*t30;
t17=t28*t15;
t15=t17+t6;
t6=t54*t15;
t17=t63*t69;
t30=t17+t6;
t6=t54*t30;
t17=t6+t42;
t6=t54*t69;
t30=t63*t23;
t42=t30+t6;
int_v_list210[5]=t42;
t6=t63*t42;
t30=t6+t17;
int_v_list310[8]=t30;
t6=t59*t38;
t17=t28*t40;
t42=t17+t6;
t6=t1*t42;
t17=t59*int_v_list003[0];
t70=t28*int_v_list002[0];
t71=t70+t17;
t17=t54*t71;
t70=t59*int_v_list002[0];
t75=t28*int_v_list001[0];
t76=t75+t70;
t70=t63*t76;
t75=t70+t17;
t17=t3*t75;
t70=t17+t6;
t6=t59*t40;
t17=t28*t43;
t40=t17+t6;
t6=int_v_oo2zeta12*t40;
t17=t6+t70;
t6=t59*t45;
t43=t28*t38;
t38=t43+t6;
t6=t54*t38;
t43=t3*t71;
t45=t43+t6;
t6=t63*t42;
t70=t6+t45;
t6=t54*t70;
t45=t6+t17;
t6=t54*t42;
t17=t3*t76;
t70=t17+t6;
t6=t63*t40;
t17=t6+t70;
int_v_list210[4]=t17;
t6=t63*t17;
t17=t6+t45;
int_v_list310[7]=t17;
t6=t59*t51;
t45=t10+t6;
t6=t28*t53;
t10=t6+t45;
t6=t1*t10;
t45=t59*t53;
t53=t18+t45;
t18=t28*t56;
t45=t18+t53;
t18=int_v_oo2zeta12*t45;
t53=t18+t6;
t6=t59*t60;
t18=t25+t6;
t6=t28*t51;
t25=t6+t18;
t6=t54*t25;
t18=t63*t10;
t51=t18+t6;
t6=t54*t51;
t18=t6+t53;
t6=t54*t10;
t51=t63*t45;
t53=t51+t6;
int_v_list210[3]=t53;
t6=t63*t53;
t51=t6+t18;
int_v_list310[6]=t51;
t6=t59*t15;
t15=t26+t21;
t18=t15+t6;
t6=t28*t69;
t15=t6+t18;
t6=t54*t15;
t18=t59*t71;
t21=t4+t18;
t4=t28*t76;
t18=t4+t21;
t4=t11*t18;
t21=t59*t76;
t26=t33+t21;
t21=t59*int_v_list001[0];
t33=t28*int_v_list000[0];
t53=t33+t21;
t21=t28*t53;
t33=t21+t26;
int_v_list200[0]=t33;
t21=t13*t33;
t26=t21+t4;
int_v_list210[2]=t26;
t4=t63*t26;
t21=t4+t6;
int_v_list310[5]=t21;
t4=t59*t38;
t6=t44+t4;
t4=t28*t42;
t38=t4+t6;
t4=t54*t38;
t6=t3*t18;
t3=t6+t4;
t4=t12*t18;
t44=t36*t33;
t56=t44+t4;
int_v_list210[1]=t56;
t4=t63*t56;
t44=t4+t3;
int_v_list310[4]=t44;
t3=t37+t43;
t4=t50+t3;
t3=t59*t25;
t25=t3+t4;
t3=t28*t10;
t4=t3+t25;
t3=t54*t4;
t25=t24*t76;
t37=t29*t18;
t43=t37+t25;
t25=t49*t33;
t37=t25+t43;
int_v_list210[0]=t37;
t25=t63*t37;
t43=t25+t3;
int_v_list310[3]=t43;
t3=t14*t69;
t25=t20*t23;
t23=t25+t3;
t3=t59*t15;
t15=t3+t23;
t3=t28*t26;
t23=t3+t15;
int_v_list310[2]=t23;
t3=t14*t42;
t15=t20*t40;
t25=t15+t3;
t3=t59*t38;
t15=t3+t25;
t3=t28*t56;
t25=t3+t15;
int_v_list310[1]=t25;
t3=t14*t10;
t10=t6+t3;
t3=t20*t45;
t6=t3+t10;
t3=t59*t4;
t4=t3+t6;
t3=t28*t37;
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;
int_v_list300[9]=t4;
t2=t54*t8;
t3=t63*t34;
t5=t3+t2;
int_v_list300[8]=t5;
t2=t59*t8;
t3=t28*t34;
t8=t3+t2;
int_v_list300[7]=t8;
t2=t1*t9;
t3=int_v_oo2zeta12*t35;
t10=t3+t2;
t2=t54*t68;
t3=t2+t10;
t2=t54*t9;
t15=t63*t35;
t26=t15+t2;
int_v_list200[4]=t26;
t2=t63*t26;
t15=t2+t3;
int_v_list300[6]=t15;
t2=t54*t31;
t3=t59*t9;
t9=t28*t35;
t26=t9+t3;
int_v_list200[3]=t26;
t3=t63*t26;
t9=t3+t2;
int_v_list300[5]=t9;
t2=t59*t31;
t3=t10+t2;
t2=t28*t26;
t10=t2+t3;
int_v_list300[4]=t10;
t2=t1*t76;
t1=int_v_oo2zeta12*t53;
t3=t1+t2;
t1=t54*t75;
t2=t1+t3;
t1=t54*t76;
t3=t63*t53;
t26=t3+t1;
int_v_list200[1]=t26;
t1=t63*t26;
t3=t1+t2;
int_v_list300[2]=t3;
t1=t54*t18;
t2=t63*t33;
t26=t2+t1;
int_v_list300[1]=t26;
t1=t14*t76;
t2=t20*t53;
t14=t2+t1;
t1=t59*t18;
t2=t1+t14;
t1=t28*t33;
t14=t1+t2;
int_v_list300[0]=t14;
t1=t11*t46;
t2=t13*t62;
t11=t2+t1;
int_v_list210[8]=t11;
t1=t24*t55;
t2=t12*t46;
t12=t2+t1;
t1=t36*t62;
t2=t1+t12;
int_v_list210[7]=t2;
t1=t29*t46;
t12=t49*t62;
t13=t12+t1;
int_v_list210[6]=t13;
return 1;}