i2302.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::i2302(){
/* the cost is 1572 */
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;
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=int_v_p120-int_v_r10;
double*restrictxx int_v_list002=int_v_list00[2];
t4=t3*int_v_list002[0];
t5=t4+t2;
t2=0.5*int_v_ooze;
t4=t2*t5;
t6=int_v_W0-int_v_p340;
t7=t6*int_v_list003[0];
t8=int_v_p340-int_v_r30;
t9=t8*int_v_list002[0];
t10=t9+t7;
t7=int_v_zeta34*int_v_ooze;
t9=int_v_oo2zeta12*t7;
t7=(-1)*t9;
t9=t7*t10;
t11=t9+t4;
t12=t6*int_v_list002[0];
double*restrictxx int_v_list001=int_v_list00[1];
t13=t8*int_v_list001[0];
t14=t13+t12;
t12=int_v_oo2zeta12*t14;
t13=t12+t11;
t11=t2*int_v_list003[0];
double*restrictxx int_v_list004=int_v_list00[4];
t15=t6*int_v_list004[0];
t16=t8*int_v_list003[0];
t17=t16+t15;
t15=t1*t17;
t16=t15+t11;
t15=t3*t10;
t18=t15+t16;
t15=t1*t18;
t16=t15+t13;
t13=t2*int_v_list002[0];
t15=t1*t10;
t19=t15+t13;
t15=t3*t14;
t20=t15+t19;
t15=t3*t20;
t19=t15+t16;
t15=int_v_ooze*2;
t16=0.5*t15;
t21=t16*t19;
t22=t16*t10;
t23=int_v_zeta12*int_v_ooze;
t24=int_v_oo2zeta34*t23;
t23=t24*(-1);
t24=t23*int_v_list003[0];
t25=int_v_oo2zeta34*int_v_list002[0];
t26=t25+t24;
t24=t6*t17;
t25=t24+t26;
t24=t8*t10;
t27=t24+t25;
t24=t1*t27;
t25=t24+t22;
t22=t23*int_v_list002[0];
t24=int_v_oo2zeta34*int_v_list001[0];
t28=t24+t22;
t22=t6*t10;
t24=t22+t28;
t22=t8*t14;
t29=t22+t24;
t22=t3*t29;
t24=t22+t25;
t22=int_v_zeta34*t15;
t15=int_v_oo2zeta12*t22;
t22=(-1)*t15;
t15=t22*t24;
t25=t15+t21;
t15=t16*t14;
t21=t1*t29;
t30=t21+t15;
t15=t23*int_v_list001[0];
double*restrictxx int_v_list000=int_v_list00[0];
t21=int_v_oo2zeta34*int_v_list000[0];
t31=t21+t15;
t15=t6*t14;
t21=t15+t31;
t15=t6*int_v_list001[0];
t32=t8*int_v_list000[0];
t33=t32+t15;
t15=t8*t33;
t32=t15+t21;
t15=t3*t32;
t21=t15+t30;
t15=int_v_oo2zeta12*2;
t30=t15*t21;
t34=t30+t25;
t25=t16*t18;
t30=t7*t27;
t35=t30+t25;
t25=int_v_oo2zeta12*t29;
t36=t25+t35;
t35=t16*t17;
t37=t23*int_v_list004[0];
t23=int_v_oo2zeta34*int_v_list003[0];
t38=t23+t37;
double*restrictxx int_v_list005=int_v_list00[5];
t23=t6*int_v_list005[0];
t37=t8*int_v_list004[0];
t39=t37+t23;
t23=t6*t39;
t37=t23+t38;
t23=t8*t17;
t40=t23+t37;
t23=t1*t40;
t37=t23+t35;
t23=t3*t27;
t35=t23+t37;
t23=t1*t35;
t37=t23+t36;
t23=t3*t24;
t36=t23+t37;
t23=t1*t36;
t37=t23+t34;
t23=t16*t20;
t34=t7*t29;
t41=t34+t23;
t23=int_v_oo2zeta12*t32;
t42=t23+t41;
t41=t1*t24;
t43=t41+t42;
t41=t3*t21;
t42=t41+t43;
double***restrictxx int_v_list2=int_v_list(2);
double**restrictxx int_v_list22=int_v_list2[2];
double*restrictxx int_v_list220=int_v_list22[0];
int_v_list220[35]=t42;
t41=t3*t42;
t43=t41+t37;
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]=t43;
t37=int_v_W2-int_v_p342;
t41=t37*int_v_list003[0];
t44=int_v_p342-int_v_r32;
t45=t44*int_v_list002[0];
t46=t45+t41;
t41=t7*t46;
t45=t37*int_v_list002[0];
t47=t44*int_v_list001[0];
t48=t47+t45;
t45=int_v_oo2zeta12*t48;
t47=t45+t41;
t49=t37*int_v_list004[0];
t50=t44*int_v_list003[0];
t51=t50+t49;
t49=t1*t51;
t50=t3*t46;
t52=t50+t49;
t49=t1*t52;
t50=t49+t47;
t49=t1*t46;
t53=t3*t48;
t54=t53+t49;
t49=t3*t54;
t53=t49+t50;
t49=t2*t53;
t50=t37*t18;
t55=t44*t20;
t56=t55+t50;
t50=t22*t56;
t55=t50+t49;
t50=t37*t20;
t57=t2*int_v_list001[0];
t58=t1*t14;
t59=t58+t57;
t58=t3*t33;
t60=t58+t59;
t58=t44*t60;
t59=t58+t50;
t50=t15*t59;
t58=t50+t55;
t50=t2*t52;
t55=t37*t17;
t61=t44*t10;
t62=t61+t55;
t55=t7*t62;
t61=t55+t50;
t63=t37*t10;
t64=t44*t14;
t65=t64+t63;
t63=int_v_oo2zeta12*t65;
t64=t63+t61;
t61=t2*t51;
t66=t37*t39;
t67=t44*t17;
t68=t67+t66;
t66=t1*t68;
t67=t66+t61;
t66=t3*t62;
t69=t66+t67;
t66=t1*t69;
t67=t66+t64;
t64=t3*t56;
t66=t64+t67;
t64=t1*t66;
t67=t64+t58;
t58=t37*t19;
t64=t1*int_v_list002[0];
t70=t3*int_v_list001[0];
t71=t70+t64;
t64=t16*t71;
t70=t7*int_v_list002[0];
t72=int_v_oo2zeta12*int_v_list001[0];
t73=t72+t70;
t70=t1*t5;
t72=t70+t73;
t70=t3*t71;
t74=t70+t72;
t70=t6*t74;
t72=t70+t64;
t64=t7*int_v_list001[0];
t70=int_v_oo2zeta12*int_v_list000[0];
t75=t70+t64;
t64=t1*t71;
t70=t64+t75;
t64=t1*int_v_list001[0];
t76=t3*int_v_list000[0];
t77=t76+t64;
t64=t3*t77;
t76=t64+t70;
double**restrictxx int_v_list20=int_v_list2[0];
double*restrictxx int_v_list200=int_v_list20[0];
int_v_list200[5]=t76;
t64=t8*t76;
t70=t64+t72;
double**restrictxx int_v_list21=int_v_list2[1];
double*restrictxx int_v_list210=int_v_list21[0];
int_v_list210[17]=t70;
t64=t44*t70;
t72=t64+t58;
int_v_list220[34]=t72;
t58=t3*t72;
t64=t58+t67;
int_v_list320[58]=t64;
t58=int_v_W1-int_v_p341;
t67=t58*int_v_list003[0];
t78=int_v_p341-int_v_r31;
t79=t78*int_v_list002[0];
t80=t79+t67;
t67=t7*t80;
t79=t58*int_v_list002[0];
t81=t78*int_v_list001[0];
t82=t81+t79;
t79=int_v_oo2zeta12*t82;
t81=t79+t67;
t83=t58*int_v_list004[0];
t84=t78*int_v_list003[0];
t85=t84+t83;
t83=t1*t85;
t84=t3*t80;
t86=t84+t83;
t83=t1*t86;
t84=t83+t81;
t83=t1*t80;
t87=t3*t82;
t88=t87+t83;
t83=t3*t88;
t87=t83+t84;
t83=t2*t87;
t84=t58*t18;
t89=t78*t20;
t90=t89+t84;
t84=t22*t90;
t89=t84+t83;
t84=t58*t20;
t91=t78*t60;
t92=t91+t84;
t84=t15*t92;
t91=t84+t89;
t84=t2*t86;
t89=t58*t17;
t93=t78*t10;
t94=t93+t89;
t89=t7*t94;
t93=t89+t84;
t95=t58*t10;
t96=t78*t14;
t97=t96+t95;
t95=int_v_oo2zeta12*t97;
t96=t95+t93;
t93=t2*t85;
t98=t58*t39;
t99=t78*t17;
t100=t99+t98;
t98=t1*t100;
t99=t98+t93;
t93=t3*t94;
t98=t93+t99;
t93=t1*t98;
t99=t93+t96;
t93=t3*t90;
t96=t93+t99;
t93=t1*t96;
t99=t93+t91;
t91=t58*t19;
t93=t78*t70;
t101=t93+t91;
int_v_list220[33]=t101;
t91=t3*t101;
t93=t91+t99;
int_v_list320[57]=t93;
t91=t37*t51;
t99=t26+t91;
t91=t44*t46;
t102=t91+t99;
t91=t1*t102;
t99=t37*t46;
t103=t28+t99;
t99=t44*t48;
t104=t99+t103;
t99=t3*t104;
t103=t99+t91;
t91=t22*t103;
t99=t1*t104;
t105=t37*t48;
t106=t31+t105;
t105=t37*int_v_list001[0];
t107=t44*int_v_list000[0];
t108=t107+t105;
t105=t44*t108;
t107=t105+t106;
t105=t3*t107;
t106=t105+t99;
t99=t15*t106;
t105=t99+t91;
t91=t7*t102;
t99=int_v_oo2zeta12*t104;
t109=t99+t91;
t110=t37*int_v_list005[0];
t111=t44*int_v_list004[0];
t112=t111+t110;
t110=t37*t112;
t111=t38+t110;
t110=t44*t51;
t112=t110+t111;
t110=t1*t112;
t111=t3*t102;
t113=t111+t110;
t110=t1*t113;
t111=t110+t109;
t110=t3*t103;
t114=t110+t111;
t110=t1*t114;
t111=t110+t105;
t105=t7*t104;
t110=int_v_oo2zeta12*t107;
t115=t110+t105;
t116=t1*t103;
t117=t116+t115;
t116=t3*t106;
t118=t116+t117;
int_v_list220[32]=t118;
t116=t3*t118;
t117=t116+t111;
int_v_list320[56]=t117;
t111=t37*t85;
t116=t44*t80;
t119=t116+t111;
t111=t1*t119;
t116=t37*t80;
t120=t44*t82;
t121=t120+t116;
t116=t3*t121;
t120=t116+t111;
t111=t22*t120;
t116=t37*t88;
t122=t1*t82;
t123=t58*int_v_list001[0];
t124=t78*int_v_list000[0];
t125=t124+t123;
t123=t3*t125;
t124=t123+t122;
t122=t44*t124;
t123=t122+t116;
t116=t15*t123;
t122=t116+t111;
t111=t7*t119;
t116=int_v_oo2zeta12*t121;
t121=t116+t111;
t126=t58*int_v_list005[0];
t127=t78*int_v_list004[0];
t128=t127+t126;
t126=t37*t128;
t127=t44*t85;
t129=t127+t126;
t126=t1*t129;
t127=t3*t119;
t130=t127+t126;
t126=t1*t130;
t127=t126+t121;
t121=t3*t120;
t126=t121+t127;
t121=t1*t126;
t127=t121+t122;
t121=t37*t87;
t122=t58*t74;
t131=t78*t76;
t132=t131+t122;
int_v_list210[15]=t132;
t122=t44*t132;
t131=t122+t121;
int_v_list220[31]=t131;
t121=t3*t131;
t122=t121+t127;
int_v_list320[55]=t122;
t121=t58*t85;
t127=t26+t121;
t26=t78*t80;
t121=t26+t127;
t26=t1*t121;
t127=t58*t80;
t133=t28+t127;
t28=t78*t82;
t127=t28+t133;
t28=t3*t127;
t133=t28+t26;
t26=t22*t133;
t28=t1*t127;
t134=t58*t82;
t135=t31+t134;
t31=t78*t125;
t134=t31+t135;
t31=t3*t134;
t135=t31+t28;
t28=t15*t135;
t31=t28+t26;
t26=t7*t121;
t28=int_v_oo2zeta12*t127;
t136=t28+t26;
t137=t58*t128;
t138=t38+t137;
t38=t78*t85;
t137=t38+t138;
t38=t1*t137;
t138=t3*t121;
t139=t138+t38;
t38=t1*t139;
t138=t38+t136;
t38=t3*t133;
t140=t38+t138;
t38=t1*t140;
t138=t38+t31;
t31=t7*t127;
t38=int_v_oo2zeta12*t134;
t141=t38+t31;
t142=t1*t133;
t143=t142+t141;
t142=t3*t135;
t144=t142+t143;
int_v_list220[30]=t144;
t142=t3*t144;
t143=t142+t138;
int_v_list320[54]=t143;
t138=int_v_W2-int_v_p122;
t142=t138*t36;
t145=int_v_p122-int_v_r12;
t146=t145*t42;
t147=t146+t142;
int_v_list320[53]=t147;
t142=t2*t19;
t146=t138*t66;
t148=t146+t142;
t146=t145*t72;
t149=t146+t148;
int_v_list320[52]=t149;
t146=t138*t96;
t148=t145*t101;
t150=t148+t146;
int_v_list320[51]=t150;
t146=t16*t53;
t148=t138*t114;
t151=t148+t146;
t146=t145*t118;
t148=t146+t151;
int_v_list320[50]=t148;
t146=t138*t126;
t151=t83+t146;
t83=t145*t131;
t146=t83+t151;
int_v_list320[49]=t146;
t83=t138*t140;
t151=t145*t144;
t152=t151+t83;
int_v_list320[48]=t152;
t83=int_v_W1-int_v_p121;
t151=t36*t83;
t36=int_v_p121-int_v_r11;
t153=t36*t42;
t42=t153+t151;
int_v_list320[47]=t42;
t151=t83*t66;
t66=t36*t72;
t72=t66+t151;
int_v_list320[46]=t72;
t66=t83*t96;
t96=t142+t66;
t66=t36*t101;
t101=t66+t96;
int_v_list320[45]=t101;
t66=t83*t114;
t96=t36*t118;
t114=t96+t66;
int_v_list320[44]=t114;
t66=t83*t126;
t96=t49+t66;
t49=t36*t131;
t66=t49+t96;
int_v_list320[43]=t66;
t49=t16*t87;
t96=t83*t140;
t118=t96+t49;
t49=t36*t144;
t96=t49+t118;
int_v_list320[42]=t96;
t49=t7*t24;
t118=int_v_oo2zeta12*t21;
t126=t118+t49;
t49=t138*t35;
t118=t145*t24;
t131=t118+t49;
t49=t138*t131;
t118=t49+t126;
t49=t138*t24;
t131=t145*t21;
t140=t131+t49;
int_v_list220[29]=t140;
t49=t145*t140;
t131=t49+t118;
int_v_list320[41]=t131;
t49=t138*t18;
t118=t145*t20;
t140=t118+t49;
t49=t2*t140;
t118=t7*t56;
t142=t118+t49;
t49=int_v_oo2zeta12*t59;
t144=t49+t142;
t142=t2*t18;
t151=t138*t69;
t153=t151+t142;
t151=t145*t56;
t154=t151+t153;
t151=t138*t154;
t153=t151+t144;
t144=t2*t20;
t151=t138*t56;
t154=t151+t144;
t151=t145*t59;
t155=t151+t154;
int_v_list220[28]=t155;
t151=t145*t155;
t154=t151+t153;
int_v_list320[40]=t154;
t151=t7*t90;
t153=int_v_oo2zeta12*t92;
t155=t153+t151;
t156=t138*t98;
t157=t145*t90;
t158=t157+t156;
t156=t138*t158;
t157=t156+t155;
t155=t138*t90;
t156=t145*t92;
t158=t156+t155;
int_v_list220[27]=t158;
t155=t145*t158;
t156=t155+t157;
int_v_list320[39]=t156;
t155=t138*t52;
t157=t4+t155;
t155=t145*t54;
t158=t155+t157;
t155=t16*t158;
t157=t7*t103;
t159=t157+t155;
t155=int_v_oo2zeta12*t106;
t160=t155+t159;
t159=t16*t52;
t161=t138*t113;
t162=t161+t159;
t159=t145*t103;
t161=t159+t162;
t159=t138*t161;
t161=t159+t160;
t159=t16*t54;
t160=t138*t103;
t162=t160+t159;
t159=t145*t106;
t160=t159+t162;
int_v_list220[26]=t160;
t159=t145*t160;
t160=t159+t161;
int_v_list320[38]=t160;
t159=t138*t86;
t161=t145*t88;
t162=t161+t159;
t159=t2*t162;
t161=t7*t120;
t163=t161+t159;
t159=int_v_oo2zeta12*t123;
t164=t159+t163;
t163=t138*t130;
t165=t84+t163;
t84=t145*t120;
t163=t84+t165;
t84=t138*t163;
t163=t84+t164;
t84=t138*t120;
t164=t2*t88;
t165=t164+t84;
t84=t145*t123;
t123=t84+t165;
int_v_list220[25]=t123;
t84=t145*t123;
t123=t84+t163;
int_v_list320[37]=t123;
t84=t7*t133;
t163=int_v_oo2zeta12*t135;
t164=t163+t84;
t165=t138*t139;
t166=t145*t133;
t167=t166+t165;
t165=t138*t167;
t166=t165+t164;
t164=t138*t133;
t165=t145*t135;
t167=t165+t164;
int_v_list220[24]=t167;
t164=t145*t167;
t165=t164+t166;
int_v_list320[36]=t165;
t164=t83*t35;
t35=t36*t24;
t166=t35+t164;
t35=t138*t166;
t164=t83*t24;
t24=t36*t21;
t21=t24+t164;
int_v_list220[23]=t21;
t24=t145*t21;
t164=t24+t35;
int_v_list320[35]=t164;
t24=t83*t18;
t18=t36*t20;
t35=t18+t24;
t18=t2*t35;
t24=t83*t69;
t69=t36*t56;
t167=t69+t24;
t24=t138*t167;
t69=t24+t18;
t24=t83*t56;
t56=t36*t59;
t59=t56+t24;
int_v_list220[22]=t59;
t24=t145*t59;
t56=t24+t69;
int_v_list320[34]=t56;
t24=t83*t98;
t69=t142+t24;
t24=t36*t90;
t98=t24+t69;
t24=t138*t98;
t69=t83*t90;
t90=t144+t69;
t69=t36*t92;
t92=t69+t90;
int_v_list220[21]=t92;
t69=t145*t92;
t90=t69+t24;
int_v_list320[33]=t90;
t24=t83*t52;
t52=t36*t54;
t69=t52+t24;
t24=t16*t69;
t52=t83*t113;
t113=t36*t103;
t142=t113+t52;
t52=t138*t142;
t113=t52+t24;
t24=t83*t103;
t52=t36*t106;
t103=t52+t24;
int_v_list220[20]=t103;
t24=t145*t103;
t52=t24+t113;
int_v_list320[32]=t52;
t24=t83*t86;
t106=t4+t24;
t4=t36*t88;
t24=t4+t106;
t4=t2*t24;
t106=t83*t130;
t113=t50+t106;
t50=t36*t120;
t106=t50+t113;
t50=t138*t106;
t113=t50+t4;
t4=t37*t24;
t50=t83*t88;
t120=t2*t71;
t130=t120+t50;
t50=t36*t124;
t144=t50+t130;
int_v_list210[9]=t144;
t50=t44*t144;
t130=t50+t4;
int_v_list220[19]=t130;
t4=t145*t130;
t50=t4+t113;
int_v_list320[31]=t50;
t4=t16*t86;
t86=t83*t139;
t113=t86+t4;
t4=t36*t133;
t86=t4+t113;
t4=t138*t86;
t113=t16*t88;
t139=t83*t133;
t133=t139+t113;
t113=t36*t135;
t135=t113+t133;
int_v_list220[18]=t135;
t113=t145*t135;
t133=t113+t4;
int_v_list320[30]=t133;
t4=t83*t166;
t113=t126+t4;
t4=t36*t21;
t21=t4+t113;
int_v_list320[29]=t21;
t4=t49+t118;
t49=t83*t167;
t113=t49+t4;
t4=t36*t59;
t49=t4+t113;
int_v_list320[28]=t49;
t4=t151+t18;
t18=t153+t4;
t4=t83*t98;
t59=t4+t18;
t4=t36*t92;
t18=t4+t59;
int_v_list320[27]=t18;
t4=t155+t157;
t59=t83*t142;
t92=t59+t4;
t4=t36*t103;
t59=t4+t92;
int_v_list320[26]=t59;
t4=t2*t69;
t92=t161+t4;
t4=t159+t92;
t92=t83*t106;
t98=t92+t4;
t4=t36*t130;
t92=t4+t98;
int_v_list320[25]=t92;
t4=t16*t24;
t98=t84+t4;
t4=t163+t98;
t84=t83*t86;
t86=t84+t4;
t4=t36*t135;
t84=t4+t86;
int_v_list320[24]=t84;
t4=t138*t27;
t86=t145*t29;
t98=t86+t4;
t4=t22*t98;
t86=t138*t29;
t103=t145*t32;
t106=t103+t86;
t86=t15*t106;
t103=t86+t4;
t4=t25+t30;
t25=t138*t40;
t30=t145*t27;
t86=t30+t25;
t25=t138*t86;
t30=t25+t4;
t25=t145*t98;
t86=t25+t30;
t25=t138*t86;