i3333ab.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::i3333eAB(){
/* the cost is 1291 */
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;
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=2*int_v_ooze;
t9=t6*0.5;
t10=t9*t8;
t11=int_v_zeta12*int_v_ooze;
t12=int_v_oo2zeta34*t11;
t11=(-1)*t12;
t12=t11*int_v_list003[0];
double*restrictxx int_v_list002=int_v_list00[2];
t13=int_v_oo2zeta34*int_v_list002[0];
t14=t13+t12;
t12=t3*t7;
t13=t12+t14;
t12=t3*int_v_list003[0];
t15=t5*int_v_list002[0];
t16=t15+t12;
t12=t5*t16;
t15=t12+t13;
t12=int_v_zeta34*int_v_ooze;
t13=int_v_oo2zeta12*t12;
t12=(-1)*t13;
t13=t12*t15;
t17=t13+t10;
t10=t11*int_v_list002[0];
double*restrictxx int_v_list001=int_v_list00[1];
t18=int_v_oo2zeta34*int_v_list001[0];
t19=t18+t10;
t10=t3*t16;
t18=t10+t19;
t10=t3*int_v_list002[0];
t20=t5*int_v_list001[0];
t21=t20+t10;
t10=t5*t21;
t20=t10+t18;
t10=int_v_oo2zeta12*t20;
t18=t10+t17;
t17=t9*t7;
t22=t11*int_v_list004[0];
t23=int_v_oo2zeta34*int_v_list003[0];
t24=t23+t22;
double*restrictxx int_v_list005=int_v_list00[5];
t22=t3*int_v_list005[0];
t23=t5*int_v_list004[0];
t25=t23+t22;
t22=t3*t25;
t23=t22+t24;
t22=t5*t7;
t26=t22+t23;
t22=t4*t26;
t23=t22+t17;
t17=t4*t23;
t22=t17+t18;
t17=int_v_ooze*3;
t18=0.5*t17;
t17=t18*t22;
t27=t18*t15;
t28=int_v_zeta12*t6;
t29=int_v_oo2zeta34*t28;
t28=t29*(-1);
t29=t28*t7;
t30=int_v_oo2zeta34*2;
t31=t30*t16;
t32=t31+t29;
t29=t3*t26;
t31=t29+t32;
t29=t5*t15;
t32=t29+t31;
t29=t4*t32;
t31=t29+t27;
t27=int_v_zeta34*t6;
t6=int_v_oo2zeta12*t27;
t27=(-1)*t6;
t6=t27*t31;
t29=t6+t17;
t6=t18*t20;
t17=t28*t16;
t33=t30*t21;
t34=t33+t17;
t17=t3*t15;
t33=t17+t34;
t17=t5*t20;
t34=t17+t33;
t17=t4*t34;
t33=t17+t6;
t6=int_v_oo2zeta12*2;
t17=t6*t33;
t35=t17+t29;
t17=t18*t23;
t29=t12*t32;
t36=t29+t17;
t17=int_v_oo2zeta12*t34;
t37=t17+t36;
t36=t18*t26;
t38=t28*t25;
t39=t30*t7;
t40=t39+t38;
t38=t11*int_v_list005[0];
t39=int_v_oo2zeta34*int_v_list004[0];
t41=t39+t38;
double*restrictxx int_v_list006=int_v_list00[6];
t38=t3*int_v_list006[0];
t39=t5*int_v_list005[0];
t42=t39+t38;
t38=t3*t42;
t39=t38+t41;
t38=t5*t25;
t43=t38+t39;
t38=t3*t43;
t3=t38+t40;
t38=t5*t26;
t5=t38+t3;
t3=t4*t5;
t38=t3+t36;
t3=t4*t38;
t36=t3+t37;
t3=t4*t36;
t37=t3+t35;
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]=t37;
t3=int_v_W2-int_v_p342;
t35=t3*int_v_list004[0];
t39=int_v_p342-int_v_r32;
t40=t39*int_v_list003[0];
t44=t40+t35;
t35=t4*t44;
t40=t1*t35;
t45=t3*t7;
t46=t39*t16;
t47=t46+t45;
t45=t12*t47;
t46=t45+t40;
t48=t3*t16;
t49=t39*t21;
t50=t49+t48;
t48=int_v_oo2zeta12*t50;
t49=t48+t46;
t46=t1*t44;
t51=t3*t25;
t52=t39*t7;
t53=t52+t51;
t51=t4*t53;
t52=t51+t46;
t51=t4*t52;
t54=t51+t49;
t49=t9*t54;
t51=t9*t47;
t55=t3*t26;
t56=t39*t15;
t57=t56+t55;
t55=t4*t57;
t56=t55+t51;
t55=t27*t56;
t58=t55+t49;
t55=t9*t50;
t59=t3*t15;
t60=t39*t20;
t61=t60+t59;
t59=t4*t61;
t60=t59+t55;
t59=t6*t60;
t62=t59+t58;
t58=t9*t52;
t59=t12*t57;
t63=t59+t58;
t64=int_v_oo2zeta12*t61;
t65=t64+t63;
t63=t9*t53;
t66=t3*t43;
t67=t39*t26;
t68=t67+t66;
t66=t4*t68;
t67=t66+t63;
t66=t4*t67;
t69=t66+t65;
t65=t4*t69;
t66=t65+t62;
int_v_list330[98]=t66;
t62=int_v_W1-int_v_p341;
t65=t62*int_v_list004[0];
t70=int_v_p341-int_v_r31;
t71=t70*int_v_list003[0];
t72=t71+t65;
t65=t4*t72;
t71=t1*t65;
t73=t62*t7;
t74=t70*t16;
t75=t74+t73;
t73=t12*t75;
t74=t73+t71;
t76=t62*t16;
t77=t70*t21;
t78=t77+t76;
t76=int_v_oo2zeta12*t78;
t77=t76+t74;
t74=t1*t72;
t79=t62*t25;
t80=t70*t7;
t81=t80+t79;
t79=t4*t81;
t80=t79+t74;
t79=t4*t80;
t82=t79+t77;
t77=t9*t82;
t79=t9*t75;
t83=t62*t26;
t84=t70*t15;
t85=t84+t83;
t83=t4*t85;
t84=t83+t79;
t83=t27*t84;
t86=t83+t77;
t83=t9*t78;
t87=t62*t15;
t88=t70*t20;
t89=t88+t87;
t87=t4*t89;
t88=t87+t83;
t87=t6*t88;
t90=t87+t86;
t86=t9*t80;
t87=t12*t85;
t91=t87+t86;
t92=int_v_oo2zeta12*t89;
t93=t92+t91;
t91=t9*t81;
t94=t62*t43;
t43=t70*t26;
t95=t43+t94;
t43=t4*t95;
t94=t43+t91;
t43=t4*t94;
t96=t43+t93;
t43=t4*t96;
t93=t43+t90;
int_v_list330[97]=t93;
t43=t3*t44;
t90=t14+t43;
t43=t3*int_v_list003[0];
t97=t39*int_v_list002[0];
t98=t97+t43;
t43=t39*t98;
t97=t43+t90;
t43=t12*t97;
t90=t3*t98;
t99=t19+t90;
t90=t3*int_v_list002[0];
t100=t39*int_v_list001[0];
t101=t100+t90;
t90=t39*t101;
t100=t90+t99;
t90=int_v_oo2zeta12*t100;
t99=t90+t43;
t102=t3*int_v_list005[0];
t103=t39*int_v_list004[0];
t104=t103+t102;
t102=t3*t104;
t103=t24+t102;
t102=t39*t44;
t105=t102+t103;
t102=t4*t105;
t103=t4*t102;
t106=t103+t99;
t103=t1*t106;
t107=t1*t97;
t108=t11*t7;
t109=int_v_oo2zeta34*t16;
t110=t109+t108;
t108=t3*t53;
t109=t108+t110;
t108=t39*t47;
t111=t108+t109;
t108=t4*t111;
t109=t108+t107;
t108=t27*t109;
t112=t108+t103;
t108=t1*t100;
t113=t11*t16;
t16=int_v_oo2zeta34*t21;
t21=t16+t113;
t16=t3*t47;
t113=t16+t21;
t16=t39*t50;
t114=t16+t113;
t16=t4*t114;
t113=t16+t108;
t16=t6*t113;
t115=t16+t112;
t16=t1*t102;
t112=t12*t111;
t116=t112+t16;
t117=int_v_oo2zeta12*t114;
t118=t117+t116;
t116=t1*t105;
t119=t11*t25;
t120=int_v_oo2zeta34*t7;
t121=t120+t119;
t119=t3*t42;
t120=t39*t25;
t122=t120+t119;
t119=t3*t122;
t120=t119+t121;
t119=t39*t53;
t122=t119+t120;
t119=t4*t122;
t120=t119+t116;
t119=t4*t120;
t123=t119+t118;
t118=t4*t123;
t119=t118+t115;
int_v_list330[96]=t119;
t115=t3*t72;
t118=t62*int_v_list003[0];
t124=t70*int_v_list002[0];
t125=t124+t118;
t118=t39*t125;
t124=t118+t115;
t115=t12*t124;
t118=t3*t125;
t126=t62*int_v_list002[0];
t127=t70*int_v_list001[0];
t128=t127+t126;
t126=t39*t128;
t127=t126+t118;
t118=int_v_oo2zeta12*t127;
t126=t118+t115;
t129=t62*int_v_list005[0];
t130=t70*int_v_list004[0];
t131=t130+t129;
t129=t3*t131;
t130=t39*t72;
t132=t130+t129;
t129=t4*t132;
t130=t4*t129;
t133=t130+t126;
t126=t1*t133;
t130=t1*t124;
t134=t3*t81;
t135=t39*t75;
t136=t135+t134;
t134=t4*t136;
t135=t134+t130;
t130=t27*t135;
t134=t130+t126;
t126=t1*t127;
t130=t3*t75;
t137=t39*t78;
t138=t137+t130;
t130=t4*t138;
t137=t130+t126;
t126=t6*t137;
t130=t126+t134;
t126=t1*t129;
t134=t12*t136;
t139=t134+t126;
t126=int_v_oo2zeta12*t138;
t140=t126+t139;
t139=t1*t132;
t141=t62*t42;
t42=t70*t25;
t25=t42+t141;
t42=t3*t25;
t141=t39*t81;
t142=t141+t42;
t42=t4*t142;
t141=t42+t139;
t42=t4*t141;
t139=t42+t140;
t42=t4*t139;
t140=t42+t130;
int_v_list330[95]=t140;
t42=t62*t72;
t130=t14+t42;
t14=t70*t125;
t42=t14+t130;
t14=t12*t42;
t130=t62*t125;
t143=t19+t130;
t19=t70*t128;
t130=t19+t143;
t19=int_v_oo2zeta12*t130;
t143=t19+t14;
t144=t62*t131;
t145=t24+t144;
t24=t70*t72;
t144=t24+t145;
t24=t4*t144;
t145=t4*t24;
t146=t145+t143;
t145=t1*t146;
t147=t1*t42;
t148=t62*t81;
t149=t110+t148;
t110=t70*t75;
t148=t110+t149;
t110=t4*t148;
t149=t110+t147;
t110=t27*t149;
t150=t110+t145;
t110=t1*t130;
t151=t62*t75;
t152=t21+t151;
t21=t70*t78;
t151=t21+t152;
t21=t4*t151;
t152=t21+t110;
t21=t6*t152;
t153=t21+t150;
t21=t1*t24;
t150=t12*t148;
t154=t150+t21;
t155=int_v_oo2zeta12*t151;
t156=t155+t154;
t154=t1*t144;
t157=t62*t25;
t25=t121+t157;
t121=t70*t81;
t157=t121+t25;
t25=t4*t157;
t121=t25+t154;
t25=t4*t121;
t158=t25+t156;
t25=t4*t158;
t156=t25+t153;
int_v_list330[94]=t156;
t25=t28*t44;
t153=t30*t98;
t159=t153+t25;
t25=t3*t105;
t153=t25+t159;
t25=t39*t97;
t159=t25+t153;
t25=t4*t159;
t153=t27*t25;
t160=t28*t98;
t98=t30*t101;
t101=t98+t160;
t98=t3*t97;
t160=t98+t101;
t98=t39*t100;
t101=t98+t160;
t98=t4*t101;
t160=t6*t98;
t161=t160+t153;
t153=t12*t159;
t160=int_v_oo2zeta12*t101;
t162=t160+t153;
t163=t28*t104;
t164=t30*t44;
t165=t164+t163;
t163=t3*int_v_list006[0];
t164=t39*int_v_list005[0];
t166=t164+t163;
t163=t3*t166;
t164=t41+t163;
t163=t39*t104;
t104=t163+t164;
t163=t3*t104;
t104=t163+t165;
t163=t39*t105;
t164=t163+t104;
t104=t4*t164;
t163=t4*t104;
t165=t163+t162;
t163=t4*t165;
t166=t163+t161;
int_v_list330[93]=t166;
t161=t11*t72;
t163=int_v_oo2zeta34*t125;
t167=t163+t161;
t161=t3*t132;
t163=t161+t167;
t161=t39*t124;
t167=t161+t163;
t161=t4*t167;
t163=t27*t161;
t168=t11*t125;
t169=int_v_oo2zeta34*t128;
t170=t169+t168;
t168=t3*t124;
t169=t168+t170;
t168=t39*t127;
t170=t168+t169;
t168=t4*t170;
t169=t6*t168;
t171=t169+t163;
t163=t12*t167;
t169=int_v_oo2zeta12*t170;
t172=t169+t163;
t173=t11*t131;
t11=int_v_oo2zeta34*t72;
t174=t11+t173;
t11=t62*int_v_list006[0];
t173=t70*int_v_list005[0];
t175=t173+t11;
t11=t3*t175;
t173=t39*t131;
t176=t173+t11;
t11=t3*t176;
t173=t11+t174;
t11=t39*t132;
t174=t11+t173;
t11=t4*t174;
t173=t4*t11;
t176=t173+t172;
t172=t4*t176;
t173=t172+t171;
int_v_list330[92]=t173;
t171=t3*t144;
t172=t39*t42;
t177=t172+t171;
t171=t4*t177;
t172=t27*t171;
t178=t3*t42;
t179=t39*t130;
t180=t179+t178;
t178=t4*t180;
t179=t6*t178;
t181=t179+t172;
t172=t12*t177;
t179=int_v_oo2zeta12*t180;
t182=t179+t172;
t183=t62*t175;
t175=t41+t183;
t41=t70*t131;
t183=t41+t175;
t41=t3*t183;
t3=t39*t144;
t39=t3+t41;
t3=t4*t39;
t41=t4*t3;
t175=t41+t182;
t41=t4*t175;
t182=t41+t181;
int_v_list330[91]=t182;
t41=t28*t72;
t181=t30*t125;
t184=t181+t41;
t41=t62*t144;
t181=t41+t184;
t41=t70*t42;
t184=t41+t181;
t41=t4*t184;
t181=t27*t41;
t185=t28*t125;
t125=t30*t128;
t128=t125+t185;
t125=t62*t42;
t185=t125+t128;
t125=t70*t130;
t128=t125+t185;
t125=t4*t128;
t185=t6*t125;
t186=t185+t181;
t181=t12*t184;
t185=int_v_oo2zeta12*t128;
t187=t185+t181;
t188=t28*t131;
t28=t30*t72;
t30=t28+t188;
t28=t62*t183;
t62=t28+t30;
t28=t70*t144;
t30=t28+t62;
t28=t4*t30;
t62=t4*t28;
t70=t62+t187;
t62=t4*t70;
t4=t62+t186;
int_v_list330[90]=t4;
t62=int_v_W2-int_v_p122;
t131=t62*t36;
int_v_list330[89]=t131;
t183=t1*t22;
t22=t62*t69;
t186=t22+t183;
int_v_list330[88]=t186;
t22=t62*t96;
int_v_list330[87]=t22;
t188=t62*t123;
t189=t49+t188;
int_v_list330[86]=t189;
t49=t1*t82;
t82=t62*t139;
t188=t82+t49;
int_v_list330[85]=t188;
t49=t62*t158;
int_v_list330[84]=t49;