i3322ab.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::i3322eAB(){
/* the cost is 652 */
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;
double t88;
double t89;
double t90;
double t91;
double t92;
double t93;
double t94;
double t95;
double t96;
double t97;
double t98;
double t99;
double t100;
double t101;
double t102;
double t103;
double t104;
double t105;
double t106;
double t107;
double t108;
double t109;
double t110;
double t111;
double t112;
double t113;
double t114;
double t115;
t1=int_v_W0-int_v_p120;
double***restrictxx int_v_list0=int_v_list(0);
double**restrictxx int_v_list00=int_v_list0[0];
double*restrictxx int_v_list003=int_v_list00[3];
t2=t1*int_v_list003[0];
t3=0.5*int_v_ooze;
t4=t3*t2;
t2=int_v_W0-int_v_p340;
t5=t2*int_v_list003[0];
t6=int_v_p340-int_v_r30;
double*restrictxx int_v_list002=int_v_list00[2];
t7=t6*int_v_list002[0];
t8=t7+t5;
t5=int_v_zeta34*int_v_ooze;
t7=int_v_oo2zeta12*t5;
t5=(-1)*t7;
t7=t5*t8;
t9=t7+t4;
t10=t2*int_v_list002[0];
double*restrictxx int_v_list001=int_v_list00[1];
t11=t6*int_v_list001[0];
t12=t11+t10;
t10=int_v_oo2zeta12*t12;
t11=t10+t9;
t9=t3*int_v_list003[0];
double*restrictxx int_v_list004=int_v_list00[4];
t13=t2*int_v_list004[0];
t14=t6*int_v_list003[0];
t15=t14+t13;
t13=t1*t15;
t14=t13+t9;
t13=t1*t14;
t16=t13+t11;
t11=int_v_ooze*2;
t13=0.5*t11;
t17=t13*t16;
t18=t13*t8;
t19=int_v_zeta12*int_v_ooze;
t20=int_v_oo2zeta34*t19;
t19=t20*(-1);
t20=t19*int_v_list003[0];
t21=int_v_oo2zeta34*int_v_list002[0];
t22=t21+t20;
t20=t2*t15;
t21=t20+t22;
t20=t6*t8;
t23=t20+t21;
t20=t1*t23;
t21=t20+t18;
t18=int_v_zeta34*t11;
t11=int_v_oo2zeta12*t18;
t18=(-1)*t11;
t11=t18*t21;
t20=t11+t17;
t11=t13*t12;
t17=t19*int_v_list002[0];
t24=int_v_oo2zeta34*int_v_list001[0];
t25=t24+t17;
t17=t2*t8;
t24=t17+t25;
t17=t6*t12;
t26=t17+t24;
t17=t1*t26;
t24=t17+t11;
t11=int_v_oo2zeta12*2;
t17=t11*t24;
t27=t17+t20;
t17=t13*t14;
t20=t5*t23;
t28=t20+t17;
t17=int_v_oo2zeta12*t26;
t29=t17+t28;
t28=t13*t15;
t30=t19*int_v_list004[0];
t19=int_v_oo2zeta34*int_v_list003[0];
t31=t19+t30;
double*restrictxx int_v_list005=int_v_list00[5];
t19=t2*int_v_list005[0];
t30=t6*int_v_list004[0];
t32=t30+t19;
t19=t2*t32;
t2=t19+t31;
t19=t6*t15;
t6=t19+t2;
t2=t1*t6;
t19=t2+t28;
t2=t1*t19;
t28=t2+t29;
t2=t1*t28;
t29=t2+t27;
double***restrictxx int_v_list3=int_v_list(3);
double**restrictxx int_v_list32=int_v_list3[2];
double*restrictxx int_v_list320=int_v_list32[0];
int_v_list320[59]=t29;
t2=int_v_W2-int_v_p342;
t27=t2*int_v_list003[0];
t30=int_v_p342-int_v_r32;
t33=t30*int_v_list002[0];
t34=t33+t27;
t27=t5*t34;
t33=t2*int_v_list002[0];
t35=t30*int_v_list001[0];
t36=t35+t33;
t33=int_v_oo2zeta12*t36;
t35=t33+t27;
t37=t2*int_v_list004[0];
t38=t30*int_v_list003[0];
t39=t38+t37;
t37=t1*t39;
t38=t1*t37;
t40=t38+t35;
t38=t3*t40;
t41=t3*t34;
t42=t2*t15;
t43=t30*t8;
t44=t43+t42;
t42=t1*t44;
t43=t42+t41;
t42=t18*t43;
t45=t42+t38;
t42=t3*t36;
t46=t2*t8;
t47=t30*t12;
t48=t47+t46;
t46=t1*t48;
t47=t46+t42;
t46=t11*t47;
t49=t46+t45;
t45=t3*t37;
t46=t5*t44;
t50=t46+t45;
t51=int_v_oo2zeta12*t48;
t52=t51+t50;
t50=t3*t39;
t53=t2*t32;
t54=t30*t15;
t55=t54+t53;
t53=t1*t55;
t54=t53+t50;
t53=t1*t54;
t56=t53+t52;
t52=t1*t56;
t53=t52+t49;
int_v_list320[58]=t53;
t49=int_v_W1-int_v_p341;
t52=t49*int_v_list003[0];
t57=int_v_p341-int_v_r31;
t58=t57*int_v_list002[0];
t59=t58+t52;
t52=t5*t59;
t58=t49*int_v_list002[0];
t60=t57*int_v_list001[0];
t61=t60+t58;
t58=int_v_oo2zeta12*t61;
t60=t58+t52;
t62=t49*int_v_list004[0];
t63=t57*int_v_list003[0];
t64=t63+t62;
t62=t1*t64;
t63=t1*t62;
t65=t63+t60;
t63=t3*t65;
t66=t3*t59;
t67=t49*t15;
t68=t57*t8;
t69=t68+t67;
t67=t1*t69;
t68=t67+t66;
t67=t18*t68;
t70=t67+t63;
t67=t3*t61;
t71=t49*t8;
t72=t57*t12;
t73=t72+t71;
t71=t1*t73;
t72=t71+t67;
t71=t11*t72;
t74=t71+t70;
t70=t3*t62;
t71=t5*t69;
t75=t71+t70;
t76=int_v_oo2zeta12*t73;
t77=t76+t75;
t75=t3*t64;
t78=t49*t32;
t32=t57*t15;
t79=t32+t78;
t32=t1*t79;
t78=t32+t75;
t32=t1*t78;
t80=t32+t77;
t32=t1*t80;
t77=t32+t74;
int_v_list320[57]=t77;
t32=t2*t39;
t74=t22+t32;
t32=t30*t34;
t81=t32+t74;
t32=t1*t81;
t74=t18*t32;
t82=t2*t34;
t83=t25+t82;
t82=t30*t36;
t84=t82+t83;
t82=t1*t84;
t83=t11*t82;
t85=t83+t74;
t74=t5*t81;
t83=int_v_oo2zeta12*t84;
t86=t83+t74;
t87=t2*int_v_list005[0];
t88=t30*int_v_list004[0];
t89=t88+t87;
t87=t2*t89;
t88=t31+t87;
t87=t30*t39;
t89=t87+t88;
t87=t1*t89;
t88=t1*t87;
t90=t88+t86;
t88=t1*t90;
t91=t88+t85;
int_v_list320[56]=t91;
t85=t2*t64;
t88=t30*t59;
t92=t88+t85;
t85=t1*t92;
t88=t18*t85;
t93=t2*t59;
t94=t30*t61;
t95=t94+t93;
t93=t1*t95;
t94=t11*t93;
t96=t94+t88;
t88=t5*t92;
t94=int_v_oo2zeta12*t95;
t97=t94+t88;
t98=t49*int_v_list005[0];
t99=t57*int_v_list004[0];
t100=t99+t98;
t98=t2*t100;
t2=t30*t64;
t30=t2+t98;
t2=t1*t30;
t98=t1*t2;
t99=t98+t97;
t97=t1*t99;
t98=t97+t96;
int_v_list320[55]=t98;
t96=t49*t64;
t97=t22+t96;
t22=t57*t59;
t96=t22+t97;
t22=t1*t96;
t97=t18*t22;
t101=t49*t59;
t102=t25+t101;
t25=t57*t61;
t101=t25+t102;
t25=t1*t101;
t102=t11*t25;
t103=t102+t97;
t97=t5*t96;
t102=int_v_oo2zeta12*t101;
t104=t102+t97;
t105=t49*t100;
t49=t31+t105;
t31=t57*t64;
t57=t31+t49;
t31=t1*t57;
t49=t1*t31;
t100=t49+t104;
t49=t1*t100;
t1=t49+t103;
int_v_list320[54]=t1;
t49=int_v_W2-int_v_p122;
t103=t49*t28;
int_v_list320[53]=t103;
t105=t3*t16;
t16=t49*t56;
t106=t16+t105;
int_v_list320[52]=t106;
t16=t49*t80;
int_v_list320[51]=t16;
t107=t13*t40;
t40=t49*t90;
t108=t40+t107;
int_v_list320[50]=t108;
t40=t49*t99;
t107=t63+t40;
int_v_list320[49]=t107;
t40=t49*t100;
int_v_list320[48]=t40;
t63=int_v_W1-int_v_p121;
t109=t28*t63;
int_v_list320[47]=t109;
t28=t63*t56;
int_v_list320[46]=t28;
t56=t63*t80;
t80=t105+t56;
int_v_list320[45]=t80;
t56=t63*t90;
int_v_list320[44]=t56;
t90=t63*t99;
t99=t38+t90;
int_v_list320[43]=t99;
t38=t13*t65;
t65=t63*t100;
t90=t65+t38;
int_v_list320[42]=t90;
t38=t5*t21;
t21=int_v_oo2zeta12*t24;
t24=t21+t38;
t21=t49*t19;
t38=t49*t21;
t21=t38+t24;
int_v_list320[41]=t21;
t38=t49*t14;
t65=t3*t38;
t38=t5*t43;
t43=t38+t65;
t65=int_v_oo2zeta12*t47;
t47=t65+t43;
t43=t3*t14;
t100=t49*t54;
t105=t100+t43;
t100=t49*t105;
t105=t100+t47;
int_v_list320[40]=t105;
t47=t5*t68;
t68=int_v_oo2zeta12*t72;
t72=t68+t47;
t100=t49*t78;
t110=t49*t100;
t100=t110+t72;
int_v_list320[39]=t100;
t72=t49*t37;
t110=t4+t72;
t72=t13*t110;
t110=t5*t32;
t32=t110+t72;
t72=int_v_oo2zeta12*t82;
t82=t72+t32;
t32=t13*t37;
t111=t49*t87;
t112=t111+t32;
t32=t49*t112;
t111=t32+t82;
int_v_list320[38]=t111;
t32=t49*t62;
t82=t3*t32;
t32=t5*t85;
t85=t32+t82;
t82=int_v_oo2zeta12*t93;
t93=t82+t85;
t85=t49*t2;
t112=t70+t85;
t70=t49*t112;
t85=t70+t93;
int_v_list320[37]=t85;
t70=t5*t22;
t22=int_v_oo2zeta12*t25;
t25=t22+t70;
t93=t49*t31;
t112=t49*t93;
t93=t112+t25;
int_v_list320[36]=t93;
t25=t63*t19;
t19=t49*t25;
int_v_list320[35]=t19;
t112=t63*t14;
t14=t3*t112;
t112=t63*t54;
t54=t49*t112;
t113=t54+t14;
int_v_list320[34]=t113;
t54=t63*t78;
t78=t43+t54;
t43=t49*t78;
int_v_list320[33]=t43;
t54=t63*t37;
t37=t13*t54;
t114=t63*t87;
t87=t49*t114;
t115=t87+t37;
int_v_list320[32]=t115;
t37=t63*t62;
t87=t4+t37;
t4=t3*t87;
t37=t63*t2;
t2=t45+t37;
t37=t49*t2;
t45=t37+t4;
int_v_list320[31]=t45;
t4=t13*t62;
t37=t63*t31;
t31=t37+t4;
t4=t49*t31;
int_v_list320[30]=t4;
t37=t63*t25;
t25=t24+t37;
int_v_list320[29]=t25;
t24=t65+t38;
t37=t63*t112;
t38=t37+t24;
int_v_list320[28]=t38;
t24=t47+t14;
t14=t68+t24;
t24=t63*t78;
t37=t24+t14;
int_v_list320[27]=t37;
t14=t72+t110;
t24=t63*t114;
t47=t24+t14;
int_v_list320[26]=t47;
t14=t3*t54;
t24=t32+t14;
t14=t82+t24;
t24=t63*t2;
t2=t24+t14;
int_v_list320[25]=t2;
t14=t13*t87;
t24=t70+t14;
t14=t22+t24;
t22=t63*t31;
t24=t22+t14;
int_v_list320[24]=t24;
t14=t49*t23;
t22=t18*t14;
t14=t49*t26;
t31=t11*t14;
t14=t31+t22;
t22=t17+t20;
t17=t49*t6;
t20=t49*t17;
t17=t20+t22;
t20=t49*t17;
t17=t20+t14;
int_v_list320[23]=t17;
t14=t49*t44;
t20=t3*t8;
t8=t20+t14;
t14=t18*t8;
t8=t10+t7;
t7=t49*t15;
t10=t49*t7;
t31=t10+t8;
t10=t3*t31;
t31=t10+t14;
t10=t49*t48;
t14=t3*t12;
t12=t14+t10;
t10=t11*t12;
t12=t10+t31;
t10=t3*t7;
t7=t46+t10;
t10=t51+t7;
t7=t49*t55;
t31=t3*t15;
t32=t31+t7;
t7=t49*t32;
t32=t7+t10;
t7=t49*t32;
t10=t7+t12;
int_v_list320[22]=t10;
t7=t49*t69;
t12=t18*t7;
t7=t49*t73;
t32=t11*t7;
t7=t32+t12;
t12=t76+t71;
t32=t49*t79;
t54=t49*t32;
t32=t54+t12;
t12=t49*t32;
t32=t12+t7;
int_v_list320[21]=t32;
t7=t49*int_v_list003[0];
t12=t3*t7;
t7=t27+t12;
t12=t33+t7;
t7=t49*t39;
t27=t9+t7;
t7=t49*t27;
t33=t7+t12;
t7=t13*t33;
t12=t13*t34;
t33=t49*t81;
t34=t33+t12;
t12=t18*t34;
t33=t12+t7;
t7=t13*t36;
t12=t49*t84;
t34=t12+t7;
t7=t11*t34;
t12=t7+t33;
t7=t13*t27;
t27=t74+t7;
t7=t83+t27;
t27=t13*t39;
t33=t49*t89;
t34=t33+t27;
t27=t49*t34;
t33=t27+t7;
t7=t49*t33;
t27=t7+t12;
int_v_list320[20]=t27;
t7=t49*t64;
t12=t49*t7;
t33=t60+t12;
t12=t3*t33;
t33=t49*t92;
t34=t66+t33;
t33=t18*t34;
t34=t33+t12;
t12=t49*t95;
t33=t67+t12;
t12=t11*t33;
t33=t12+t34;
t12=t3*t7;
t7=t88+t12;
t12=t94+t7;
t7=t49*t30;
t34=t75+t7;
t7=t49*t34;
t34=t7+t12;
t7=t49*t34;
t12=t7+t33;
int_v_list320[19]=t12;
t7=t49*t96;
t33=t18*t7;
t7=t49*t101;
t34=t11*t7;
t7=t34+t33;
t33=t49*t57;
t34=t49*t33;
t33=t104+t34;
t34=t49*t33;
t33=t34+t7;
int_v_list320[18]=t33;
t7=t63*t23;
t23=t5*t7;
t34=t63*t26;
t26=int_v_oo2zeta12*t34;
t36=t26+t23;
t23=t63*t6;
t6=t49*t23;
t26=t49*t6;
t6=t26+t36;
int_v_list320[17]=t6;
t26=t63*t44;
t36=t5*t26;
t44=t63*t15;
t15=t49*t44;
t54=t3*t15;
t15=t54+t36;
t36=t63*t48;
t48=int_v_oo2zeta12*t36;
t54=t48+t15;
t15=t63*t55;
t48=t49*t15;
t55=t3*t44;
t60=t55+t48;
t48=t49*t60;
t60=t48+t54;
int_v_list320[16]=t60;
t48=t63*t69;
t54=t20+t48;
t20=t5*t54;
t48=t63*t73;
t62=t14+t48;
t14=int_v_oo2zeta12*t62;
t48=t14+t20;
t14=t63*t79;
t20=t31+t14;
t14=t49*t20;
t31=t49*t14;
t14=t31+t48;
int_v_list320[15]=t14;
t31=t63*t39;
t39=t49*t31;
t48=t63*int_v_list003[0];
t65=t3*t48;
t48=t65+t39;
t39=t13*t48;
t48=t63*t81;
t66=t5*t48;
t67=t66+t39;
t39=t63*t84;
t66=int_v_oo2zeta12*t39;
t68=t66+t67;
t66=t13*t31;
t67=t63*t89;
t69=t49*t67;
t70=t69+t66;
t66=t49*t70;
t69=t66+t68;
int_v_list320[14]=t69;
t66=t63*t64;
t68=t9+t66;
t9=t49*t68;
t66=t3*t9;
t9=t63*t92;
t70=t41+t9;
t9=t5*t70;
t41=t9+t66;
t9=t63*t95;
t66=t42+t9;
t9=int_v_oo2zeta12*t66;
t42=t9+t41;
t9=t3*t68;
t41=t63*t30;
t30=t50+t41;
t41=t49*t30;
t50=t41+t9;
t9=t49*t50;
t41=t9+t42;
int_v_list320[13]=t41;
t9=t13*t59;
t42=t63*t96;
t50=t42+t9;
t9=t5*t50;
t5=t13*t61;
t42=t63*t101;
t59=t42+t5;
t5=int_v_oo2zeta12*t59;
t42=t5+t9;
t5=t13*t64;
t9=t63*t57;
t57=t9+t5;
t5=t49*t57;
t9=t49*t5;
t5=t9+t42;
int_v_list320[12]=t5;
t9=t63*t23;
t23=t22+t9;
t9=t49*t23;
int_v_list320[11]=t9;
t22=t51+t46;
t42=t63*t15;
t15=t42+t22;
t22=t49*t15;
t42=t63*t44;
t44=t8+t42;
t8=t3*t44;
t42=t8+t22;
int_v_list320[10]=t42;
t22=t71+t55;
t44=t76+t22;
t22=t63*t20;
t20=t22+t44;
t22=t49*t20;
int_v_list320[9]=t22;
t44=t63*t31;
t46=t35+t44;
t35=t13*t46;
t44=t63*t67;
t51=t86+t44;
t44=t49*t51;
t55=t44+t35;
int_v_list320[8]=t55;
t35=t52+t65;
t44=t58+t35;
t35=t63*t68;
t52=t35+t44;
t35=t3*t52;
t44=t3*t31;
t31=t88+t44;
t44=t94+t31;
t31=t63*t30;
t30=t31+t44;
t31=t49*t30;
t44=t31+t35;
int_v_list320[7]=t44;
t31=t13*t68;
t35=t97+t31;
t31=t102+t35;
t35=t63*t57;
t57=t35+t31;
t31=t49*t57;
int_v_list320[6]=t31;
t35=t18*t7;
t7=t11*t34;
t34=t7+t35;
t7=t63*t23;
t23=t7+t34;
int_v_list320[5]=t23;
t7=t18*t26;
t26=t11*t36;
t34=t26+t7;
t7=t63*t15;
t15=t7+t34;
int_v_list320[4]=t15;
t7=t18*t54;
t26=t8+t7;
t7=t11*t62;
t8=t7+t26;
t7=t63*t20;
t20=t7+t8;
int_v_list320[3]=t20;
t7=t18*t48;
t8=t11*t39;
t26=t8+t7;
t7=t63*t51;
t8=t7+t26;
int_v_list320[2]=t8;
t7=t18*t70;
t26=t3*t46;
t3=t26+t7;
t7=t11*t66;
t26=t7+t3;
t3=t63*t30;
t7=t3+t26;
int_v_list320[1]=t7;
t3=t13*t52;
t13=t18*t50;
t18=t13+t3;
t3=t11*t59;
t11=t3+t18;
t3=t63*t57;
t13=t3+t11;
int_v_list320[0]=t13;
return 1;}