i2323.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::i2323(){
/* the cost is 3028 */
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;
double t178;
double t179;
double t180;
double t181;
double t182;
double t183;
double t184;
double t185;
double t186;
double t187;
double t188;
double t189;
double t190;
double t191;
double t192;
double t193;
double t194;
double t195;
double t196;
double t197;
double t198;
double t199;
double t200;
double t201;
double t202;
double t203;
double t204;
double t205;
double t206;
double t207;
double t208;
double t209;
double t210;
double t211;
double t212;
double t213;
double t214;
double t215;
double t216;
double t217;
double t218;
double t219;
double t220;
double t221;
double t222;
double t223;
double t224;
double t225;
double t226;
double t227;
double t228;
double t229;
double t230;
double t231;
double t232;
double t233;
double t234;
double t235;
double t236;
double t237;
double t238;
double t239;
double t240;
double t241;
double t242;
double t243;
double t244;
double t245;
double t246;
double t247;
double t248;
double t249;
double t250;
double t251;
double t252;
double t253;
double t254;
double t255;
double t256;
double t257;
double t258;
double t259;
double t260;
double t261;
double t262;
double t263;
double t264;
double t265;
double t266;
double t267;
double t268;
double t269;
double t270;
double t271;
double t272;
double t273;
double t274;
double t275;
double t276;
double t277;
double t278;
double t279;
double t280;
double t281;
double t282;
double t283;
double t284;
double t285;
double t286;
double t287;
t1=0.5*int_v_ooze;
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=int_v_W0-int_v_p340;
double*restrictxx int_v_list004=int_v_list00[4];
t4=t3*int_v_list004[0];
t5=int_v_p340-int_v_r30;
t6=t5*int_v_list003[0];
t7=t6+t4;
t4=int_v_W0-int_v_p120;
t6=t4*t7;
t8=t6+t2;
t6=t3*int_v_list003[0];
double*restrictxx int_v_list002=int_v_list00[2];
t9=t5*int_v_list002[0];
t10=t9+t6;
t6=int_v_p120-int_v_r10;
t9=t6*t10;
t11=t9+t8;
t8=2*int_v_ooze;
t9=t8*0.5;
t12=t9*t11;
t13=int_v_zeta12*int_v_ooze;
t14=int_v_oo2zeta34*t13;
t13=(-1)*t14;
t14=t13*int_v_list003[0];
t15=int_v_oo2zeta34*int_v_list002[0];
t16=t15+t14;
t14=t3*t7;
t15=t14+t16;
t14=t5*t10;
t17=t14+t15;
t14=int_v_zeta34*int_v_ooze;
t15=int_v_oo2zeta12*t14;
t14=(-1)*t15;
t15=t14*t17;
t18=t15+t12;
t12=t13*int_v_list002[0];
double*restrictxx int_v_list001=int_v_list00[1];
t19=int_v_oo2zeta34*int_v_list001[0];
t20=t19+t12;
t12=t3*t10;
t19=t12+t20;
t12=t3*int_v_list002[0];
t21=t5*int_v_list001[0];
t22=t21+t12;
t12=t5*t22;
t21=t12+t19;
t12=int_v_oo2zeta12*t21;
t19=t12+t18;
t18=t9*t7;
t23=t13*int_v_list004[0];
t24=int_v_oo2zeta34*int_v_list003[0];
t25=t24+t23;
double*restrictxx int_v_list005=int_v_list00[5];
t23=t3*int_v_list005[0];
t24=t5*int_v_list004[0];
t26=t24+t23;
t23=t3*t26;
t24=t23+t25;
t23=t5*t7;
t27=t23+t24;
t23=t4*t27;
t24=t23+t18;
t18=t6*t17;
t23=t18+t24;
t18=t4*t23;
t24=t18+t19;
t18=t9*t10;
t19=t4*t17;
t28=t19+t18;
t18=t6*t21;
t19=t18+t28;
t18=t6*t19;
t28=t18+t24;
t18=int_v_ooze*3;
t24=0.5*t18;
t18=t24*t28;
t29=t24*t17;
t30=int_v_zeta12*t8;
t31=int_v_oo2zeta34*t30;
t30=t31*(-1);
t31=t30*t7;
t32=int_v_oo2zeta34*2;
t33=t32*t10;
t34=t33+t31;
t31=t3*t27;
t33=t31+t34;
t31=t5*t17;
t34=t31+t33;
t31=t4*t34;
t33=t31+t29;
t29=t30*t10;
t31=t32*t22;
t35=t31+t29;
t29=t3*t17;
t31=t29+t35;
t29=t5*t21;
t35=t29+t31;
t29=t6*t35;
t31=t29+t33;
t29=int_v_zeta34*t8;
t8=int_v_oo2zeta12*t29;
t29=(-1)*t8;
t8=t29*t31;
t33=t8+t18;
t8=t24*t21;
t18=t4*t35;
t36=t18+t8;
t8=t30*t22;
t18=t3*int_v_list001[0];
double*restrictxx int_v_list000=int_v_list00[0];
t37=t5*int_v_list000[0];
t38=t37+t18;
t18=t32*t38;
t37=t18+t8;
t8=t3*t21;
t18=t8+t37;
t8=t13*int_v_list001[0];
t37=int_v_oo2zeta34*int_v_list000[0];
t39=t37+t8;
t8=t3*t22;
t37=t8+t39;
t8=t5*t38;
t40=t8+t37;
t8=t5*t40;
t37=t8+t18;
t8=t6*t37;
t18=t8+t36;
t8=int_v_oo2zeta12*2;
t36=t8*t18;
t41=t36+t33;
t33=t24*t23;
t36=t14*t34;
t42=t36+t33;
t33=int_v_oo2zeta12*t35;
t43=t33+t42;
t42=t24*t27;
t44=t30*t26;
t45=t32*t7;
t46=t45+t44;
t44=t13*int_v_list005[0];
t45=int_v_oo2zeta34*int_v_list004[0];
t47=t45+t44;
double*restrictxx int_v_list006=int_v_list00[6];
t44=t3*int_v_list006[0];
t45=t5*int_v_list005[0];
t48=t45+t44;
t44=t3*t48;
t45=t44+t47;
t44=t5*t26;
t49=t44+t45;
t44=t3*t49;
t3=t44+t46;
t44=t5*t27;
t5=t44+t3;
t3=t4*t5;
t44=t3+t42;
t3=t6*t34;
t42=t3+t44;
t3=t4*t42;
t44=t3+t43;
t3=t6*t31;
t43=t3+t44;
t3=t4*t43;
t44=t3+t41;
t3=t24*t19;
t41=t14*t35;
t45=t41+t3;
t3=int_v_oo2zeta12*t37;
t46=t3+t45;
t45=t4*t31;
t50=t45+t46;
t45=t6*t18;
t46=t45+t50;
double***restrictxx int_v_list2=int_v_list(2);
double**restrictxx int_v_list23=int_v_list2[3];
double*restrictxx int_v_list230=int_v_list23[0];
int_v_list230[59]=t46;
t45=t6*t46;
t50=t45+t44;
double***restrictxx int_v_list3=int_v_list(3);
double**restrictxx int_v_list33=int_v_list3[3];
double*restrictxx int_v_list330=int_v_list33[0];
int_v_list330[99]=t50;
t44=int_v_W2-int_v_p342;
t45=t44*int_v_list004[0];
t51=int_v_p342-int_v_r32;
t52=t51*int_v_list003[0];
t53=t52+t45;
t45=t4*t53;
t52=t44*int_v_list003[0];
t54=t51*int_v_list002[0];
t55=t54+t52;
t52=t6*t55;
t54=t52+t45;
t45=t1*t54;
t52=t44*t7;
t56=t51*t10;
t57=t56+t52;
t52=t14*t57;
t56=t52+t45;
t58=t44*t10;
t59=t51*t22;
t60=t59+t58;
t58=int_v_oo2zeta12*t60;
t59=t58+t56;
t56=t1*t53;
t61=t44*t26;
t62=t51*t7;
t63=t62+t61;
t61=t4*t63;
t62=t61+t56;
t61=t6*t57;
t64=t61+t62;
t61=t4*t64;
t62=t61+t59;
t59=t44*t11;
t61=t1*int_v_list002[0];
t65=t4*t10;
t66=t65+t61;
t65=t6*t22;
t67=t65+t66;
t65=t51*t67;
t66=t65+t59;
t59=t6*t66;
t65=t59+t62;
t59=t9*t65;
t62=t44*t23;
t68=t51*t19;
t69=t68+t62;
t62=t29*t69;
t68=t62+t59;
t62=t44*t19;
t70=t9*t22;
t71=t4*t21;
t72=t71+t70;
t70=t6*t40;
t71=t70+t72;
t70=t51*t71;
t72=t70+t62;
t62=t8*t72;
t70=t62+t68;
t62=t9*t64;
t68=t44*t27;
t73=t51*t17;
t74=t73+t68;
t68=t14*t74;
t73=t68+t62;
t75=t44*t17;
t76=t51*t21;
t77=t76+t75;
t75=int_v_oo2zeta12*t77;
t76=t75+t73;
t73=t9*t63;
t78=t44*t49;
t79=t51*t27;
t80=t79+t78;
t78=t4*t80;
t79=t78+t73;
t78=t6*t74;
t81=t78+t79;
t78=t4*t81;
t79=t78+t76;
t76=t6*t69;
t78=t76+t79;
t76=t4*t78;
t79=t76+t70;
t70=t44*t28;
t76=t9*t67;
t82=t14*t21;
t83=t82+t76;
t76=int_v_oo2zeta12*t40;
t84=t76+t83;
t83=t4*t19;
t85=t83+t84;
t83=t6*t71;
t84=t83+t85;
double**restrictxx int_v_list22=int_v_list2[2];
double*restrictxx int_v_list220=int_v_list22[0];
int_v_list220[35]=t84;
t83=t51*t84;
t85=t83+t70;
int_v_list230[58]=t85;
t70=t6*t85;
t83=t70+t79;
int_v_list330[98]=t83;
t70=int_v_W1-int_v_p341;
t79=t70*int_v_list004[0];
t86=int_v_p341-int_v_r31;
t87=t86*int_v_list003[0];
t88=t87+t79;
t79=t4*t88;
t87=t70*int_v_list003[0];
t89=t86*int_v_list002[0];
t90=t89+t87;
t87=t6*t90;
t89=t87+t79;
t79=t1*t89;
t87=t70*t7;
t91=t86*t10;
t92=t91+t87;
t87=t14*t92;
t91=t87+t79;
t93=t70*t10;
t94=t86*t22;
t95=t94+t93;
t93=int_v_oo2zeta12*t95;
t94=t93+t91;
t91=t1*t88;
t96=t70*t26;
t97=t86*t7;
t98=t97+t96;
t96=t4*t98;
t97=t96+t91;
t96=t6*t92;
t99=t96+t97;
t96=t4*t99;
t97=t96+t94;
t94=t70*t11;
t96=t86*t67;
t100=t96+t94;
t94=t6*t100;
t96=t94+t97;
t94=t9*t96;
t97=t70*t23;
t101=t86*t19;
t102=t101+t97;
t97=t29*t102;
t101=t97+t94;
t97=t70*t19;
t103=t86*t71;
t104=t103+t97;
t97=t8*t104;
t103=t97+t101;
t97=t9*t99;
t101=t70*t27;
t105=t86*t17;
t106=t105+t101;
t101=t14*t106;
t105=t101+t97;
t107=t70*t17;
t108=t86*t21;
t109=t108+t107;
t107=int_v_oo2zeta12*t109;
t108=t107+t105;
t105=t9*t98;
t110=t70*t49;
t111=t86*t27;
t112=t111+t110;
t110=t4*t112;
t111=t110+t105;
t110=t6*t106;
t113=t110+t111;
t110=t4*t113;
t111=t110+t108;
t108=t6*t102;
t110=t108+t111;
t108=t4*t110;
t111=t108+t103;
t103=t70*t28;
t108=t86*t84;
t114=t108+t103;
int_v_list230[57]=t114;
t103=t6*t114;
t108=t103+t111;
int_v_list330[97]=t108;
t103=t44*t53;
t111=t16+t103;
t103=t51*t55;
t115=t103+t111;
t103=t14*t115;
t111=t44*t55;
t116=t20+t111;
t111=t44*int_v_list002[0];
t117=t51*int_v_list001[0];
t118=t117+t111;
t111=t51*t118;
t117=t111+t116;
t111=int_v_oo2zeta12*t117;
t116=t111+t103;
t119=t44*int_v_list005[0];
t120=t51*int_v_list004[0];
t121=t120+t119;
t119=t44*t121;
t120=t25+t119;
t119=t51*t53;
t122=t119+t120;
t119=t4*t122;
t120=t6*t115;
t123=t120+t119;
t119=t4*t123;
t120=t119+t116;
t119=t4*t115;
t124=t6*t117;
t125=t124+t119;
t119=t6*t125;
t124=t119+t120;
t119=t1*t124;
t120=t1*t115;
t126=t13*t7;
t127=int_v_oo2zeta34*t10;
t128=t127+t126;
t126=t44*t63;
t127=t126+t128;
t126=t51*t57;
t129=t126+t127;
t126=t4*t129;
t127=t126+t120;
t126=t13*t10;
t130=int_v_oo2zeta34*t22;
t131=t130+t126;
t126=t44*t57;
t130=t126+t131;
t126=t51*t60;
t132=t126+t130;
t126=t6*t132;
t130=t126+t127;
t126=t29*t130;
t127=t126+t119;
t126=t1*t117;
t133=t4*t132;
t134=t133+t126;
t133=t13*t22;
t135=int_v_oo2zeta34*t38;
t136=t135+t133;
t133=t44*t60;
t135=t133+t136;
t133=t44*t22;
t137=t51*t38;
t138=t137+t133;
t133=t51*t138;
t137=t133+t135;
t133=t6*t137;
t135=t133+t134;
t133=t8*t135;
t134=t133+t127;
t127=t1*t123;
t133=t14*t129;
t139=t133+t127;
t140=int_v_oo2zeta12*t132;
t141=t140+t139;
t139=t1*t122;
t142=t13*t26;
t143=int_v_oo2zeta34*t7;
t144=t143+t142;
t142=t44*t48;
t143=t51*t26;
t145=t143+t142;
t142=t44*t145;
t143=t142+t144;
t142=t51*t63;
t145=t142+t143;
t142=t4*t145;
t143=t142+t139;
t142=t6*t129;
t146=t142+t143;
t142=t4*t146;
t143=t142+t141;
t141=t6*t130;
t142=t141+t143;
t141=t4*t142;
t143=t141+t134;
t134=t1*t125;
t141=t14*t132;
t147=t141+t134;
t148=int_v_oo2zeta12*t137;
t149=t148+t147;
t147=t4*t130;
t150=t147+t149;
t147=t6*t135;
t149=t147+t150;
int_v_list230[56]=t149;
t147=t6*t149;
t150=t147+t143;
int_v_list330[96]=t150;
t143=t44*t88;
t147=t51*t90;
t151=t147+t143;
t143=t14*t151;
t147=t44*t90;
t152=t70*int_v_list002[0];
t153=t86*int_v_list001[0];
t154=t153+t152;
t152=t51*t154;
t153=t152+t147;
t147=int_v_oo2zeta12*t153;
t152=t147+t143;
t155=t70*int_v_list005[0];
t156=t86*int_v_list004[0];
t157=t156+t155;
t155=t44*t157;
t156=t51*t88;
t158=t156+t155;
t155=t4*t158;
t156=t6*t151;
t159=t156+t155;
t155=t4*t159;
t156=t155+t152;
t152=t4*t151;
t155=t6*t153;
t160=t155+t152;
t152=t6*t160;
t155=t152+t156;
t152=t1*t155;
t156=t44*t99;
t161=t51*t100;
t162=t161+t156;
t156=t29*t162;
t161=t156+t152;
t152=t44*t100;
t156=t1*t154;
t163=t4*t95;
t164=t163+t156;
t163=t70*t22;
t165=t86*t38;
t38=t165+t163;
t163=t6*t38;
t165=t163+t164;
t163=t51*t165;
t164=t163+t152;
t152=t8*t164;
t163=t152+t161;
t152=t1*t159;
t161=t44*t98;
t166=t51*t92;
t167=t166+t161;
t161=t14*t167;
t166=t161+t152;
t152=t44*t92;
t168=t51*t95;
t169=t168+t152;
t152=int_v_oo2zeta12*t169;
t168=t152+t166;
t166=t1*t158;
t169=t70*t48;
t48=t86*t26;
t26=t48+t169;
t48=t44*t26;
t169=t51*t98;
t170=t169+t48;
t48=t4*t170;
t169=t48+t166;
t48=t6*t167;
t166=t48+t169;
t48=t4*t166;
t169=t48+t168;
t48=t6*t162;
t168=t48+t169;
t48=t4*t168;
t169=t48+t163;
t48=t44*t96;
t163=t4*t90;
t171=t6*t154;
t172=t171+t163;
t163=t1*t172;
t171=t14*t95;
t173=t171+t163;
t174=int_v_oo2zeta12*t38;
t175=t174+t173;
t173=t4*t100;
t176=t173+t175;
t173=t6*t165;
t175=t173+t176;
int_v_list220[33]=t175;
t173=t51*t175;
t176=t173+t48;
int_v_list230[55]=t176;
t48=t6*t176;
t173=t48+t169;
int_v_list330[95]=t173;
t48=t70*t88;
t169=t16+t48;
t16=t86*t90;
t48=t16+t169;
t16=t14*t48;
t169=t70*t90;
t177=t20+t169;
t20=t86*t154;
t169=t20+t177;
t20=int_v_oo2zeta12*t169;
t177=t20+t16;
t178=t70*t157;
t179=t25+t178;
t25=t86*t88;
t178=t25+t179;
t25=t4*t178;
t179=t6*t48;
t180=t179+t25;
t25=t4*t180;
t179=t25+t177;
t25=t4*t48;
t181=t6*t169;
t182=t181+t25;
t25=t6*t182;
t181=t25+t179;
t25=t1*t181;
t179=t1*t48;
t183=t70*t98;
t184=t128+t183;
t128=t86*t92;
t183=t128+t184;
t128=t4*t183;
t184=t128+t179;
t128=t70*t92;
t179=t131+t128;
t128=t86*t95;