i0311ab.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::i0311eAB(){
/* the cost is 318 */
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;
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;
t6=t5*int_v_list002[0];
t8=int_v_W0-int_v_p340;
t9=t8*int_v_list003[0];
t10=int_v_p340-int_v_r30;
t11=t10*int_v_list002[0];
t12=t11+t9;
t9=t2*t12;
t11=t9+t6;
t9=2*int_v_ooze;
t13=int_v_zeta34*t9;
t9=int_v_oo2zeta12*t13;
t13=(-1)*t9;
t9=t13*t11;
t14=t9+t7;
t9=t5*int_v_list001[0];
t15=t8*int_v_list002[0];
t16=t10*int_v_list001[0];
t17=t16+t15;
t15=t2*t17;
t16=t15+t9;
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]=t16;
t15=int_v_oo2zeta12*2;
t18=t15*t16;
t19=t18+t14;
t14=t5*t3;
t18=t1*t12;
t20=t18+t14;
t21=int_v_oo2zeta12*t17;
t22=t21+t20;
t20=t5*int_v_list003[0];
double*restrictxx int_v_list004=int_v_list00[4];
t23=t8*int_v_list004[0];
t24=t10*int_v_list003[0];
t25=t24+t23;
t23=t2*t25;
t24=t23+t20;
t23=t2*t24;
t26=t23+t22;
t22=t2*t26;
t23=t22+t19;
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]=t23;
t19=int_v_W2-int_v_p342;
t22=t19*int_v_list003[0];
t27=int_v_p342-int_v_r32;
t28=t27*int_v_list002[0];
t29=t28+t22;
t22=t2*t29;
t28=t13*t22;
t30=t19*int_v_list002[0];
t31=t27*int_v_list001[0];
t32=t31+t30;
t30=t2*t32;
int_v_list110[7]=t30;
t31=t15*t30;
t33=t31+t28;
t28=t1*t29;
t31=int_v_oo2zeta12*t32;
t34=t31+t28;
t35=t19*int_v_list004[0];
t36=t27*int_v_list003[0];
t37=t36+t35;
t35=t2*t37;
t36=t2*t35;
t38=t36+t34;
t36=t2*t38;
t39=t36+t33;
int_v_list310[28]=t39;
t33=int_v_W1-int_v_p341;
t36=t33*int_v_list003[0];
t40=int_v_p341-int_v_r31;
t41=t40*int_v_list002[0];
t42=t41+t36;
t36=t2*t42;
t41=t13*t36;
t43=t33*int_v_list002[0];
t44=t40*int_v_list001[0];
t45=t44+t43;
t43=t2*t45;
int_v_list110[6]=t43;
t44=t15*t43;
t46=t44+t41;
t41=t1*t42;
t44=int_v_oo2zeta12*t45;
t47=t44+t41;
t48=t33*int_v_list004[0];
t49=t40*int_v_list003[0];
t50=t49+t48;
t48=t2*t50;
t49=t2*t48;
t51=t49+t47;
t49=t2*t51;
t52=t49+t46;
int_v_list310[27]=t52;
t46=int_v_W2-int_v_p122;
t49=t46*t26;
int_v_list310[26]=t49;
t53=t46*t38;
t54=t7+t53;
int_v_list310[25]=t54;
t53=t46*t51;
int_v_list310[24]=t53;
t55=int_v_W1-int_v_p121;
t56=t26*t55;
int_v_list310[23]=t56;
t26=t55*t38;
int_v_list310[22]=t26;
t38=t55*t51;
t51=t7+t38;
int_v_list310[21]=t51;
t7=t1*t11;
t38=int_v_oo2zeta12*t16;
t16=t38+t7;
t7=t46*t24;
t38=t46*t7;
t7=t38+t16;
int_v_list310[20]=t7;
t38=t46*t3;
t57=t5*t38;
t38=t1*t22;
t58=t38+t57;
t57=int_v_oo2zeta12*t30;
t30=t57+t58;
t58=t46*t35;
t59=t14+t58;
t58=t46*t59;
t59=t58+t30;
int_v_list310[19]=t59;
t30=t1*t36;
t58=int_v_oo2zeta12*t43;
t43=t58+t30;
t60=t46*t48;
t61=t46*t60;
t60=t61+t43;
int_v_list310[18]=t60;
t43=t55*t24;
t24=t46*t43;
int_v_list310[17]=t24;
t61=t55*t3;
t3=t5*t61;
t61=t55*t35;
t35=t46*t61;
t62=t35+t3;
int_v_list310[16]=t62;
t35=t55*t48;
t48=t14+t35;
t14=t46*t48;
int_v_list310[15]=t14;
t35=t55*t43;
t43=t16+t35;
int_v_list310[14]=t43;
t16=t57+t38;
t35=t55*t61;
t38=t35+t16;
int_v_list310[13]=t38;
t16=t30+t3;
t3=t58+t16;
t16=t55*t48;
t30=t16+t3;
int_v_list310[12]=t30;
t3=t46*t12;
t16=t13*t3;
t35=t46*t17;
int_v_list110[5]=t35;
t48=t15*t35;
t35=t48+t16;
t16=t21+t18;
t18=t46*t25;
t21=t46*t18;
t18=t21+t16;
t21=t46*t18;
t18=t21+t35;
int_v_list310[11]=t18;
t21=t46*t29;
t35=t6+t21;
t21=t13*t35;
t48=t46*int_v_list003[0];
t57=t46*t48;
t58=t4+t57;
t57=t5*t58;
t58=t57+t21;
t21=t46*t32;
t57=t9+t21;
int_v_list110[4]=t57;
t21=t15*t57;
t57=t21+t58;
t21=t5*t48;
t48=t28+t21;
t21=t31+t48;
t28=t46*t37;
t31=t20+t28;
t28=t46*t31;
t31=t28+t21;
t21=t46*t31;
t28=t21+t57;
int_v_list310[10]=t28;
t21=t46*t42;
t31=t13*t21;
t48=t46*t45;
int_v_list110[3]=t48;
t57=t15*t48;
t48=t57+t31;
t31=t46*t50;
t57=t46*t31;
t31=t47+t57;
t47=t46*t31;
t31=t47+t48;
int_v_list310[9]=t31;
t47=t55*t12;
t12=t1*t47;
t48=t55*t17;
int_v_list110[2]=t48;
t57=int_v_oo2zeta12*t48;
t58=t57+t12;
t12=t55*t25;
t25=t46*t12;
t57=t46*t25;
t25=t57+t58;
int_v_list310[8]=t25;
t57=t55*t29;
t29=t1*t57;
t58=t55*int_v_list003[0];
t61=t46*t58;
t63=t5*t61;
t61=t63+t29;
t29=t55*t32;
int_v_list110[1]=t29;
t63=int_v_oo2zeta12*t29;
t64=t63+t61;
t61=t55*t37;
t37=t46*t61;
t63=t5*t58;
t65=t63+t37;
t37=t46*t65;
t65=t37+t64;
int_v_list310[7]=t65;
t37=t55*t42;
t42=t6+t37;
t6=t1*t42;
t37=t55*t45;
t64=t9+t37;
int_v_list110[0]=t64;
t9=int_v_oo2zeta12*t64;
t37=t9+t6;
t6=t55*t50;
t9=t20+t6;
t6=t46*t9;
t20=t46*t6;
t6=t20+t37;
int_v_list310[6]=t6;
t20=t55*t12;
t12=t16+t20;
t16=t46*t12;
int_v_list310[5]=t16;
t20=t55*t61;
t37=t34+t20;
t20=t46*t37;
t34=t55*t58;
t50=t4+t34;
t4=t5*t50;
t34=t4+t20;
int_v_list310[4]=t34;
t20=t41+t63;
t41=t44+t20;
t20=t55*t9;
t9=t20+t41;
t20=t46*t9;
int_v_list310[3]=t20;
t41=t13*t47;
t44=t15*t48;
t48=t44+t41;
t41=t55*t12;
t12=t41+t48;
int_v_list310[2]=t12;
t41=t13*t57;
t44=t15*t29;
t29=t44+t41;
t41=t55*t37;
t37=t41+t29;
int_v_list310[1]=t37;
t29=t13*t42;
t13=t4+t29;
t4=t15*t64;
t15=t4+t13;
t4=t55*t9;
t9=t4+t15;
int_v_list310[0]=t9;
t4=t2*int_v_list002[0];
t13=t5*t4;
t4=t1*t17;
t15=t4+t13;
t17=t8*int_v_list001[0];
double*restrictxx int_v_list000=int_v_list00[0];
t8=t10*int_v_list000[0];
t10=t8+t17;
double**restrictxx int_v_list01=int_v_list0[1];
double*restrictxx int_v_list010=int_v_list01[0];
int_v_list010[2]=t10;
t8=int_v_oo2zeta12*t10;
t10=t8+t15;
t15=t2*t11;
t17=t15+t10;
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]=t17;
t10=t1*t32;
t15=t19*int_v_list001[0];
t19=t27*int_v_list000[0];
t27=t19+t15;
int_v_list010[1]=t27;
t15=int_v_oo2zeta12*t27;
t19=t15+t10;
t27=t2*t22;
t29=t27+t19;
int_v_list210[16]=t29;
t27=t1*t45;
t1=t33*int_v_list001[0];
t32=t40*int_v_list000[0];
t33=t32+t1;
int_v_list010[0]=t33;
t1=int_v_oo2zeta12*t33;
t32=t1+t27;
t33=t2*t36;
t2=t33+t32;
int_v_list210[15]=t2;
t33=t46*t11;
int_v_list210[14]=t33;
t40=t46*t22;
t41=t13+t40;
int_v_list210[13]=t41;
t40=t46*t36;
int_v_list210[12]=t40;
t44=t55*t11;
int_v_list210[11]=t44;
t11=t55*t22;
int_v_list210[10]=t11;
t22=t55*t36;
t36=t13+t22;
int_v_list210[9]=t36;
t13=t8+t4;
t4=t46*t3;
t3=t4+t13;
int_v_list210[8]=t3;
t4=t46*int_v_list002[0];
t8=t5*t4;
t4=t10+t8;
t8=t15+t4;
t4=t46*t35;
t10=t4+t8;
int_v_list210[7]=t10;
t4=t46*t21;
t8=t32+t4;
int_v_list210[6]=t8;
t4=t46*t47;
int_v_list210[5]=t4;
t15=t46*t57;
t21=t55*int_v_list002[0];
t22=t5*t21;
t5=t22+t15;
int_v_list210[4]=t5;
t15=t46*t42;
int_v_list210[3]=t15;
t21=t55*t47;
t32=t13+t21;
int_v_list210[2]=t32;
t13=t55*t57;
t21=t19+t13;
int_v_list210[1]=t21;
t13=t27+t22;
t19=t1+t13;
t1=t55*t42;
t13=t1+t19;
int_v_list210[0]=t13;
return 1;}