i2301ab.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::i2301eAB(){
/* the cost is 364 */
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;
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=t2*t3;
t6=t5+t4;
t5=0.5*int_v_ooze;
t7=t5*t6;
t8=t5*int_v_list002[0];
t9=int_v_W0-int_v_p340;
t10=t9*int_v_list003[0];
t11=int_v_p340-int_v_r30;
t12=t11*int_v_list002[0];
t13=t12+t10;
t10=t2*t13;
t12=t10+t8;
t10=2*int_v_ooze;
t14=int_v_zeta34*t10;
t10=int_v_oo2zeta12*t14;
t14=(-1)*t10;
t10=t14*t12;
t15=t10+t7;
t10=t5*int_v_list001[0];
t16=t9*int_v_list002[0];
t17=t11*int_v_list001[0];
t18=t17+t16;
t16=t2*t18;
t17=t16+t10;
t16=int_v_oo2zeta12*2;
t19=t16*t17;
t20=t19+t15;
t15=t5*t3;
t19=t1*t13;
t21=t19+t15;
t22=int_v_oo2zeta12*t18;
t23=t22+t21;
t21=t5*int_v_list003[0];
double*restrictxx int_v_list004=int_v_list00[4];
t24=t9*int_v_list004[0];
t25=t11*int_v_list003[0];
t26=t25+t24;
t24=t2*t26;
t25=t24+t21;
t24=t2*t25;
t27=t24+t23;
t23=t2*t27;
t24=t23+t20;
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]=t24;
t20=int_v_W2-int_v_p342;
t23=t20*int_v_list003[0];
t28=int_v_p342-int_v_r32;
t29=t28*int_v_list002[0];
t30=t29+t23;
t23=t2*t30;
t29=t14*t23;
t31=t20*int_v_list002[0];
t32=t28*int_v_list001[0];
t33=t32+t31;
t31=t2*t33;
t32=t16*t31;
t34=t32+t29;
t29=t1*t30;
t32=int_v_oo2zeta12*t33;
t35=t32+t29;
t36=t20*int_v_list004[0];
t37=t28*int_v_list003[0];
t38=t37+t36;
t36=t2*t38;
t37=t2*t36;
t39=t37+t35;
t37=t2*t39;
t40=t37+t34;
int_v_list310[28]=t40;
t34=int_v_W1-int_v_p341;
t37=t34*int_v_list003[0];
t41=int_v_p341-int_v_r31;
t42=t41*int_v_list002[0];
t43=t42+t37;
t37=t2*t43;
t42=t14*t37;
t44=t34*int_v_list002[0];
t45=t41*int_v_list001[0];
t46=t45+t44;
t44=t2*t46;
t45=t16*t44;
t47=t45+t42;
t42=t1*t43;
t45=int_v_oo2zeta12*t46;
t48=t45+t42;
t49=t34*int_v_list004[0];
t50=t41*int_v_list003[0];
t51=t50+t49;
t49=t2*t51;
t50=t2*t49;
t52=t50+t48;
t50=t2*t52;
t53=t50+t47;
int_v_list310[27]=t53;
t47=int_v_W2-int_v_p122;
t50=t47*t27;
int_v_list310[26]=t50;
t54=t47*t39;
t55=t7+t54;
int_v_list310[25]=t55;
t54=t47*t52;
int_v_list310[24]=t54;
t56=int_v_W1-int_v_p121;
t57=t27*t56;
int_v_list310[23]=t57;
t27=t56*t39;
int_v_list310[22]=t27;
t39=t56*t52;
t52=t7+t39;
int_v_list310[21]=t52;
t7=t1*t12;
t39=int_v_oo2zeta12*t17;
t17=t39+t7;
t7=t47*t25;
t39=t47*t7;
t7=t39+t17;
int_v_list310[20]=t7;
t39=t47*t3;
t58=t5*t39;
t59=t1*t23;
t60=t59+t58;
t58=int_v_oo2zeta12*t31;
t31=t58+t60;
t60=t47*t36;
t61=t15+t60;
t60=t47*t61;
t61=t60+t31;
int_v_list310[19]=t61;
t31=t1*t37;
t60=int_v_oo2zeta12*t44;
t44=t60+t31;
t62=t47*t49;
t63=t47*t62;
t62=t63+t44;
int_v_list310[18]=t62;
t44=t56*t25;
t25=t47*t44;
int_v_list310[17]=t25;
t63=t56*t3;
t3=t5*t63;
t64=t56*t36;
t36=t47*t64;
t65=t36+t3;
int_v_list310[16]=t65;
t36=t56*t49;
t49=t15+t36;
t15=t47*t49;
int_v_list310[15]=t15;
t36=t56*t44;
t44=t17+t36;
int_v_list310[14]=t44;
t17=t58+t59;
t36=t56*t64;
t58=t36+t17;
int_v_list310[13]=t58;
t17=t31+t3;
t3=t60+t17;
t17=t56*t49;
t31=t17+t3;
int_v_list310[12]=t31;
t3=t47*t13;
t17=t14*t3;
t36=t47*t18;
t49=t16*t36;
t36=t49+t17;
t17=t22+t19;
t19=t47*t26;
t22=t47*t19;
t19=t22+t17;
t22=t47*t19;
t19=t22+t36;
int_v_list310[11]=t19;
t22=t47*t30;
t36=t8+t22;
t22=t14*t36;
t49=t47*int_v_list003[0];
t59=t47*t49;
t60=t4+t59;
t59=t5*t60;
t64=t59+t22;
t22=t47*t33;
t59=t10+t22;
t22=t16*t59;
t59=t22+t64;
t22=t5*t49;
t49=t29+t22;
t22=t32+t49;
t29=t47*t38;
t32=t21+t29;
t29=t47*t32;
t32=t29+t22;
t22=t47*t32;
t29=t22+t59;
int_v_list310[10]=t29;
t22=t47*t43;
t32=t14*t22;
t49=t47*t46;
t59=t16*t49;
t49=t59+t32;
t32=t47*t51;
t59=t47*t32;
t32=t48+t59;
t48=t47*t32;
t32=t48+t49;
int_v_list310[9]=t32;
t48=t56*t13;
t13=t1*t48;
t49=t56*t18;
t59=int_v_oo2zeta12*t49;
t64=t59+t13;
t13=t56*t26;
t26=t47*t13;
t59=t47*t26;
t26=t59+t64;
int_v_list310[8]=t26;
t59=t56*t30;
t30=t1*t59;
t64=t56*int_v_list003[0];
t66=t47*t64;
t67=t5*t66;
t68=t67+t30;
t30=t56*t33;
t67=int_v_oo2zeta12*t30;
t69=t67+t68;
t67=t56*t38;
t38=t47*t67;
t68=t5*t64;
t70=t68+t38;
t38=t47*t70;
t70=t38+t69;
int_v_list310[7]=t70;
t38=t56*t43;
t43=t8+t38;
t8=t1*t43;
t38=t56*t46;
t69=t10+t38;
t10=int_v_oo2zeta12*t69;
t38=t10+t8;
t8=t56*t51;
t10=t21+t8;
t8=t47*t10;
t21=t47*t8;
t8=t21+t38;
int_v_list310[6]=t8;
t21=t56*t13;
t13=t17+t21;
t17=t47*t13;
int_v_list310[5]=t17;
t21=t56*t67;
t38=t35+t21;
t21=t47*t38;
t35=t56*t64;
t51=t4+t35;
t4=t5*t51;
t35=t4+t21;
int_v_list310[4]=t35;
t21=t42+t68;
t42=t45+t21;
t21=t56*t10;
t10=t21+t42;
t21=t47*t10;
int_v_list310[3]=t21;
t42=t14*t48;
t45=t16*t49;
t49=t45+t42;
t42=t56*t13;
t13=t42+t49;
int_v_list310[2]=t13;
t42=t14*t59;
t45=t16*t30;
t30=t45+t42;
t42=t56*t38;
t38=t42+t30;
int_v_list310[1]=t38;
t30=t14*t43;
t42=t4+t30;
t4=t16*t69;
t30=t4+t42;
t4=t56*t10;
t10=t4+t30;
int_v_list310[0]=t10;
t4=t2*int_v_list002[0];
t30=t14*t4;
t42=t2*int_v_list001[0];
t45=t16*t42;
t49=t45+t30;
t30=t2*t6;
t45=t30+t49;
double**restrictxx int_v_list30=int_v_list3[0];
double*restrictxx int_v_list300=int_v_list30[0];
int_v_list300[9]=t45;
t30=t47*t6;
int_v_list300[8]=t30;
t49=t56*t6;
int_v_list300[7]=t49;
t6=t1*t4;
t64=int_v_oo2zeta12*t42;
t42=t64+t6;
t6=t47*t39;
t39=t6+t42;
int_v_list300[6]=t39;
t6=t47*t63;
int_v_list300[5]=t6;
t64=t56*t63;
t63=t42+t64;
int_v_list300[4]=t63;
t42=t47*int_v_list002[0];
t64=t14*t42;
t67=t47*int_v_list001[0];
t68=t16*t67;
t67=t68+t64;
t64=t47*t60;
t60=t64+t67;
int_v_list300[3]=t60;
t64=t56*int_v_list002[0];
t67=t1*t64;
t68=t56*int_v_list001[0];
t69=int_v_oo2zeta12*t68;
t71=t69+t67;
t67=t47*t66;
t66=t67+t71;
int_v_list300[2]=t66;
t67=t47*t51;
int_v_list300[1]=t67;
t69=t14*t64;
t14=t16*t68;
t16=t14+t69;
t14=t56*t51;
t51=t14+t16;
int_v_list300[0]=t51;
t14=t5*t4;
t16=t1*t18;
t18=t16+t14;
t68=t9*int_v_list001[0];
double*restrictxx int_v_list000=int_v_list00[0];
t9=t11*int_v_list000[0];
t11=t9+t68;
t9=int_v_oo2zeta12*t11;
t11=t9+t18;
t18=t2*t12;
t68=t18+t11;
double***restrictxx int_v_list2=int_v_list(2);
double**restrictxx int_v_list21=int_v_list2[1];
double*restrictxx int_v_list210=int_v_list21[0];
int_v_list210[17]=t68;
t11=t1*t33;
t18=t20*int_v_list001[0];
t20=t28*int_v_list000[0];
t28=t20+t18;
t18=int_v_oo2zeta12*t28;
t20=t18+t11;
t28=t2*t23;
t33=t28+t20;
int_v_list210[16]=t33;
t28=t1*t46;
t46=t34*int_v_list001[0];
t34=t41*int_v_list000[0];
t41=t34+t46;
t34=int_v_oo2zeta12*t41;
t41=t34+t28;
t46=t2*t37;
t69=t46+t41;
int_v_list210[15]=t69;
t46=t47*t12;
int_v_list210[14]=t46;
t71=t47*t23;
t72=t14+t71;
int_v_list210[13]=t72;
t71=t47*t37;
int_v_list210[12]=t71;
t73=t56*t12;
int_v_list210[11]=t73;
t12=t56*t23;
int_v_list210[10]=t12;
t23=t56*t37;
t37=t14+t23;
int_v_list210[9]=t37;
t14=t9+t16;
t9=t47*t3;
t3=t9+t14;
int_v_list210[8]=t3;
t9=t5*t42;
t16=t11+t9;
t9=t18+t16;
t11=t47*t36;
t16=t11+t9;
int_v_list210[7]=t16;
t9=t47*t22;
t11=t41+t9;
int_v_list210[6]=t11;
t9=t47*t48;
int_v_list210[5]=t9;
t18=t47*t59;
t22=t5*t64;
t5=t22+t18;
int_v_list210[4]=t5;
t18=t47*t43;
int_v_list210[3]=t18;
t23=t56*t48;
t36=t14+t23;
int_v_list210[2]=t36;
t14=t56*t59;
t23=t20+t14;
int_v_list210[1]=t23;
t14=t28+t22;
t20=t34+t14;
t14=t56*t43;
t22=t14+t20;
int_v_list210[0]=t22;
t14=t1*int_v_list001[0];
t1=int_v_oo2zeta12*int_v_list000[0];
t20=t1+t14;
t1=t2*t4;
t2=t1+t20;
double**restrictxx int_v_list20=int_v_list2[0];
double*restrictxx int_v_list200=int_v_list20[0];
int_v_list200[5]=t2;
t1=t47*t4;
int_v_list200[4]=t1;
t14=t56*t4;
int_v_list200[3]=t14;
t4=t47*t42;
t28=t20+t4;
int_v_list200[2]=t28;
t4=t47*t64;
int_v_list200[1]=t4;
t34=t56*t64;
t41=t20+t34;
int_v_list200[0]=t41;
return 1;}