i1302ab.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::i1302eAB(){
/* the cost is 1040 */
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;
double t116;
double t117;
double t118;
double t119;
double t120;
double t121;
double t122;
double t123;
double t124;
double t125;
double t126;
double t127;
double t128;
double t129;
double t130;
double t131;
double t132;
double t133;
double t134;
double t135;
double t136;
double t137;
double t138;
double t139;
double t140;
double t141;
double t142;
double t143;
double t144;
double t145;
double t146;
double t147;
double t148;
double t149;
double t150;
double t151;
double t152;
double t153;
double t154;
double t155;
double t156;
double t157;
double t158;
double t159;
double t160;
double t161;
double t162;
double t163;
double t164;
double t165;
double t166;
double t167;
double t168;
double t169;
double t170;
double t171;
double t172;
double t173;
double t174;
double t175;
double t176;
double t177;
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;
t5=int_v_W0-int_v_p340;
t6=t5*int_v_list003[0];
t7=int_v_p340-int_v_r30;
double*restrictxx int_v_list002=int_v_list00[2];
t8=t7*int_v_list002[0];
t9=t8+t6;
t6=int_v_zeta34*int_v_ooze;
t8=int_v_oo2zeta12*t6;
t6=(-1)*t8;
t8=t6*t9;
t10=t8+t4;
t11=t5*int_v_list002[0];
double*restrictxx int_v_list001=int_v_list00[1];
t12=t7*int_v_list001[0];
t13=t12+t11;
t11=int_v_oo2zeta12*t13;
t12=t11+t10;
t10=t3*int_v_list003[0];
double*restrictxx int_v_list004=int_v_list00[4];
t14=t5*int_v_list004[0];
t15=t7*int_v_list003[0];
t16=t15+t14;
t14=t1*t16;
t15=t14+t10;
t14=t1*t15;
t17=t14+t12;
t12=int_v_ooze*2;
t14=0.5*t12;
t18=t14*t17;
t19=t14*t9;
t20=int_v_zeta12*int_v_ooze;
t21=int_v_oo2zeta34*t20;
t20=t21*(-1);
t21=t20*int_v_list003[0];
t22=int_v_oo2zeta34*int_v_list002[0];
t23=t22+t21;
t21=t5*t16;
t22=t21+t23;
t21=t7*t9;
t24=t21+t22;
t21=t1*t24;
t22=t21+t19;
t19=int_v_zeta34*t12;
t12=int_v_oo2zeta12*t19;
t19=(-1)*t12;
t12=t19*t22;
t21=t12+t18;
t12=t14*t13;
t18=t20*int_v_list002[0];
t25=int_v_oo2zeta34*int_v_list001[0];
t26=t25+t18;
t18=t5*t9;
t25=t18+t26;
t18=t7*t13;
t27=t18+t25;
t18=t1*t27;
t25=t18+t12;
double***restrictxx int_v_list1=int_v_list(1);
double**restrictxx int_v_list12=int_v_list1[2];
double*restrictxx int_v_list120=int_v_list12[0];
int_v_list120[17]=t25;
t12=int_v_oo2zeta12*2;
t18=t12*t25;
t28=t18+t21;
t18=t14*t15;
t21=t6*t24;
t29=t21+t18;
t18=int_v_oo2zeta12*t27;
t30=t18+t29;
t29=t14*t16;
t31=t20*int_v_list004[0];
t32=int_v_oo2zeta34*int_v_list003[0];
t33=t32+t31;
double*restrictxx int_v_list005=int_v_list00[5];
t31=t5*int_v_list005[0];
t32=t7*int_v_list004[0];
t34=t32+t31;
t31=t5*t34;
t32=t31+t33;
t31=t7*t16;
t35=t31+t32;
t31=t1*t35;
t32=t31+t29;
t29=t1*t32;
t31=t29+t30;
t29=t1*t31;
t30=t29+t28;
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]=t30;
t28=int_v_W2-int_v_p342;
t29=t28*int_v_list003[0];
t36=int_v_p342-int_v_r32;
t37=t36*int_v_list002[0];
t38=t37+t29;
t29=t6*t38;
t37=t28*int_v_list002[0];
t39=t36*int_v_list001[0];
t40=t39+t37;
t37=int_v_oo2zeta12*t40;
t39=t37+t29;
t41=t28*int_v_list004[0];
t42=t36*int_v_list003[0];
t43=t42+t41;
t41=t1*t43;
t42=t1*t41;
t44=t42+t39;
t42=t3*t44;
t45=t3*t38;
t46=t28*t16;
t47=t36*t9;
t48=t47+t46;
t46=t1*t48;
t47=t46+t45;
t46=t19*t47;
t49=t46+t42;
t46=t3*t40;
t50=t28*t9;
t51=t36*t13;
t52=t51+t50;
t50=t1*t52;
t51=t50+t46;
int_v_list120[16]=t51;
t50=t12*t51;
t53=t50+t49;
t49=t3*t41;
t50=t6*t48;
t54=t50+t49;
t55=int_v_oo2zeta12*t52;
t56=t55+t54;
t54=t3*t43;
t57=t28*t34;
t58=t36*t16;
t59=t58+t57;
t57=t1*t59;
t58=t57+t54;
t57=t1*t58;
t60=t57+t56;
t56=t1*t60;
t57=t56+t53;
int_v_list320[58]=t57;
t53=int_v_W1-int_v_p341;
t56=t53*int_v_list003[0];
t61=int_v_p341-int_v_r31;
t62=t61*int_v_list002[0];
t63=t62+t56;
t56=t6*t63;
t62=t53*int_v_list002[0];
t64=t61*int_v_list001[0];
t65=t64+t62;
t62=int_v_oo2zeta12*t65;
t64=t62+t56;
t66=t53*int_v_list004[0];
t67=t61*int_v_list003[0];
t68=t67+t66;
t66=t1*t68;
t67=t1*t66;
t69=t67+t64;
t67=t3*t69;
t70=t3*t63;
t71=t53*t16;
t72=t61*t9;
t73=t72+t71;
t71=t1*t73;
t72=t71+t70;
t71=t19*t72;
t74=t71+t67;
t71=t3*t65;
t75=t53*t9;
t76=t61*t13;
t77=t76+t75;
t75=t1*t77;
t76=t75+t71;
int_v_list120[15]=t76;
t75=t12*t76;
t78=t75+t74;
t74=t3*t66;
t75=t6*t73;
t79=t75+t74;
t80=int_v_oo2zeta12*t77;
t81=t80+t79;
t79=t3*t68;
t82=t53*t34;
t34=t61*t16;
t83=t34+t82;
t34=t1*t83;
t82=t34+t79;
t34=t1*t82;
t84=t34+t81;
t34=t1*t84;
t81=t34+t78;
int_v_list320[57]=t81;
t34=t28*t43;
t78=t23+t34;
t34=t36*t38;
t85=t34+t78;
t34=t1*t85;
t78=t19*t34;
t86=t28*t38;
t87=t26+t86;
t86=t36*t40;
t88=t86+t87;
t86=t1*t88;
int_v_list120[14]=t86;
t87=t12*t86;
t89=t87+t78;
t78=t6*t85;
t87=int_v_oo2zeta12*t88;
t90=t87+t78;
t91=t28*int_v_list005[0];
t92=t36*int_v_list004[0];
t93=t92+t91;
t91=t28*t93;
t92=t33+t91;
t91=t36*t43;
t93=t91+t92;
t91=t1*t93;
t92=t1*t91;
t94=t92+t90;
t92=t1*t94;
t95=t92+t89;
int_v_list320[56]=t95;
t89=t28*t68;
t92=t36*t63;
t96=t92+t89;
t89=t1*t96;
t92=t19*t89;
t97=t28*t63;
t98=t36*t65;
t99=t98+t97;
t97=t1*t99;
int_v_list120[13]=t97;
t98=t12*t97;
t100=t98+t92;
t92=t6*t96;
t98=int_v_oo2zeta12*t99;
t101=t98+t92;
t102=t53*int_v_list005[0];
t103=t61*int_v_list004[0];
t104=t103+t102;
t102=t28*t104;
t103=t36*t68;
t105=t103+t102;
t102=t1*t105;
t103=t1*t102;
t106=t103+t101;
t101=t1*t106;
t103=t101+t100;
int_v_list320[55]=t103;
t100=t53*t68;
t101=t23+t100;
t23=t61*t63;
t100=t23+t101;
t23=t1*t100;
t101=t19*t23;
t107=t53*t63;
t108=t26+t107;
t26=t61*t65;
t107=t26+t108;
t26=t1*t107;
int_v_list120[12]=t26;
t108=t12*t26;
t109=t108+t101;
t101=t6*t100;
t108=int_v_oo2zeta12*t107;
t110=t108+t101;
t111=t53*t104;
t104=t33+t111;
t33=t61*t68;
t111=t33+t104;
t33=t1*t111;
t104=t1*t33;
t112=t104+t110;
t104=t1*t112;
t113=t104+t109;
int_v_list320[54]=t113;
t104=int_v_W2-int_v_p122;
t109=t104*t31;
int_v_list320[53]=t109;
t114=t3*t17;
t115=t104*t60;
t116=t115+t114;
int_v_list320[52]=t116;
t115=t104*t84;
int_v_list320[51]=t115;
t117=t14*t44;
t118=t104*t94;
t119=t118+t117;
int_v_list320[50]=t119;
t117=t104*t106;
t118=t67+t117;
int_v_list320[49]=t118;
t67=t104*t112;
int_v_list320[48]=t67;
t117=int_v_W1-int_v_p121;
t120=t31*t117;
int_v_list320[47]=t120;
t31=t117*t60;
int_v_list320[46]=t31;
t60=t117*t84;
t84=t114+t60;
int_v_list320[45]=t84;
t60=t117*t94;
int_v_list320[44]=t60;
t94=t117*t106;
t106=t42+t94;
int_v_list320[43]=t106;
t42=t14*t69;
t94=t117*t112;
t112=t94+t42;
int_v_list320[42]=t112;
t42=t6*t22;
t94=int_v_oo2zeta12*t25;
t25=t94+t42;
t42=t104*t32;
t94=t104*t42;
t42=t94+t25;
int_v_list320[41]=t42;
t94=t104*t15;
t114=t3*t94;
t121=t6*t47;
t122=t121+t114;
t114=int_v_oo2zeta12*t51;
t51=t114+t122;
t122=t3*t15;
t123=t104*t58;
t124=t123+t122;
t123=t104*t124;
t124=t123+t51;
int_v_list320[40]=t124;
t51=t6*t72;
t123=int_v_oo2zeta12*t76;
t76=t123+t51;
t125=t104*t82;
t126=t104*t125;
t125=t126+t76;
int_v_list320[39]=t125;
t76=t104*t41;
t126=t4+t76;
t76=t14*t126;
t127=t6*t34;
t128=t127+t76;
t76=int_v_oo2zeta12*t86;
t86=t76+t128;
t128=t14*t41;
t129=t104*t91;
t130=t129+t128;
t128=t104*t130;
t129=t128+t86;
int_v_list320[38]=t129;
t86=t104*t66;
t128=t3*t86;
t130=t6*t89;
t131=t130+t128;
t128=int_v_oo2zeta12*t97;
t97=t128+t131;
t131=t104*t102;
t132=t74+t131;
t74=t104*t132;
t131=t74+t97;
int_v_list320[37]=t131;
t74=t6*t23;
t97=int_v_oo2zeta12*t26;
t26=t97+t74;
t132=t104*t33;
t133=t104*t132;
t132=t133+t26;
int_v_list320[36]=t132;
t26=t117*t32;
t32=t104*t26;
int_v_list320[35]=t32;
t133=t117*t15;
t15=t3*t133;
t134=t117*t58;
t58=t104*t134;
t135=t58+t15;
int_v_list320[34]=t135;
t58=t117*t82;
t82=t122+t58;
t58=t104*t82;
int_v_list320[33]=t58;
t122=t117*t41;
t41=t14*t122;
t136=t117*t91;
t91=t104*t136;
t137=t91+t41;
int_v_list320[32]=t137;
t41=t117*t66;
t91=t4+t41;
t4=t3*t91;
t41=t117*t102;
t102=t49+t41;
t41=t104*t102;
t49=t41+t4;
int_v_list320[31]=t49;
t4=t14*t66;
t41=t117*t33;
t33=t41+t4;
t4=t104*t33;
int_v_list320[30]=t4;
t41=t117*t26;
t26=t25+t41;
int_v_list320[29]=t26;
t25=t114+t121;
t41=t117*t134;
t66=t41+t25;
int_v_list320[28]=t66;
t25=t51+t15;
t15=t123+t25;
t25=t117*t82;
t41=t25+t15;
int_v_list320[27]=t41;
t15=t76+t127;
t25=t117*t136;
t51=t25+t15;
int_v_list320[26]=t51;
t15=t3*t122;
t25=t130+t15;
t15=t128+t25;
t25=t117*t102;
t76=t25+t15;
int_v_list320[25]=t76;
t15=t14*t91;
t25=t74+t15;
t15=t97+t25;
t25=t117*t33;
t33=t25+t15;
int_v_list320[24]=t33;
t15=t104*t24;
t25=t19*t15;
t74=t104*t27;
int_v_list120[11]=t74;
t82=t12*t74;
t74=t82+t25;
t25=t18+t21;
t18=t104*t35;
t21=t104*t18;
t18=t21+t25;
t21=t104*t18;
t18=t21+t74;
int_v_list320[23]=t18;
t21=t104*t48;
t74=t3*t9;
t82=t74+t21;
t21=t19*t82;
t97=t11+t8;
t8=t104*t16;
t11=t104*t8;
t102=t11+t97;
t11=t3*t102;
t114=t11+t21;
t11=t104*t52;
t21=t3*t13;
t121=t21+t11;
int_v_list120[10]=t121;
t11=t12*t121;
t121=t11+t114;
t11=t3*t8;
t8=t50+t11;
t11=t55+t8;
t8=t104*t59;
t114=t3*t16;
t123=t114+t8;
t8=t104*t123;
t123=t8+t11;
t8=t104*t123;
t11=t8+t121;
int_v_list320[22]=t11;
t8=t104*t73;
t121=t19*t8;
t123=t104*t77;
int_v_list120[9]=t123;
t127=t12*t123;
t123=t127+t121;
t121=t80+t75;
t127=t104*t83;
t128=t104*t127;
t127=t128+t121;
t121=t104*t127;
t127=t121+t123;
int_v_list320[21]=t127;
t121=t104*int_v_list003[0];
t123=t3*t121;
t128=t29+t123;
t29=t37+t128;
t37=t104*t43;
t123=t10+t37;
t37=t104*t123;
t128=t37+t29;
t29=t14*t128;
t37=t14*t38;
t130=t104*t85;
t134=t130+t37;
t37=t19*t134;
t130=t37+t29;
t29=t14*t40;
t37=t104*t88;
t136=t37+t29;
int_v_list120[8]=t136;
t29=t12*t136;
t37=t29+t130;
t29=t14*t123;
t123=t78+t29;
t29=t87+t123;
t78=t14*t43;
t87=t104*t93;
t123=t87+t78;
t78=t104*t123;
t87=t78+t29;
t29=t104*t87;
t78=t29+t37;
int_v_list320[20]=t78;
t29=t104*t68;
t37=t104*t29;
t87=t64+t37;
t37=t3*t87;
t64=t104*t96;
t123=t70+t64;
t64=t19*t123;
t70=t64+t37;
t37=t104*t99;
t64=t71+t37;
int_v_list120[7]=t64;
t37=t12*t64;
t64=t37+t70;
t37=t3*t29;
t29=t92+t37;
t37=t98+t29;
t29=t104*t105;
t70=t79+t29;
t29=t104*t70;
t70=t29+t37;
t29=t104*t70;