i1333ab.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::i1333eAB(){
/* the cost is 1609 */
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;
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;
double***restrictxx int_v_list1=int_v_list(1);
double**restrictxx int_v_list13=int_v_list1[3];
double*restrictxx int_v_list130=int_v_list13[0];
int_v_list130[29]=t33;
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;
t39=t38+t40;
t38=t5*t26;
t40=t38+t39;
t38=t4*t40;
t39=t38+t36;
t36=t4*t39;
t38=t36+t37;
t36=t4*t38;
t37=t36+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;
t35=int_v_W2-int_v_p342;
t36=t35*int_v_list004[0];
t44=int_v_p342-int_v_r32;
t45=t44*int_v_list003[0];
t46=t45+t36;
t36=t4*t46;
t45=t1*t36;
t47=t35*t7;
t48=t44*t16;
t49=t48+t47;
t47=t12*t49;
t48=t47+t45;
t50=t35*t16;
t51=t44*t21;
t52=t51+t50;
t50=int_v_oo2zeta12*t52;
t51=t50+t48;
t48=t1*t46;
t53=t35*t25;
t54=t44*t7;
t55=t54+t53;
t53=t4*t55;
t54=t53+t48;
t53=t4*t54;
t56=t53+t51;
t51=t9*t56;
t53=t9*t49;
t57=t35*t26;
t58=t44*t15;
t59=t58+t57;
t57=t4*t59;
t58=t57+t53;
t57=t27*t58;
t60=t57+t51;
t57=t9*t52;
t61=t35*t15;
t62=t44*t20;
t63=t62+t61;
t61=t4*t63;
t62=t61+t57;
int_v_list130[28]=t62;
t61=t6*t62;
t64=t61+t60;
t60=t9*t54;
t61=t12*t59;
t65=t61+t60;
t66=int_v_oo2zeta12*t63;
t67=t66+t65;
t65=t9*t55;
t68=t35*t43;
t69=t44*t26;
t70=t69+t68;
t68=t4*t70;
t69=t68+t65;
t68=t4*t69;
t71=t68+t67;
t67=t4*t71;
t68=t67+t64;
int_v_list330[98]=t68;
t64=int_v_W1-int_v_p341;
t67=t64*int_v_list004[0];
t72=int_v_p341-int_v_r31;
t73=t72*int_v_list003[0];
t74=t73+t67;
t67=t4*t74;
t73=t1*t67;
t75=t64*t7;
t76=t72*t16;
t77=t76+t75;
t75=t12*t77;
t76=t75+t73;
t78=t64*t16;
t79=t72*t21;
t80=t79+t78;
t78=int_v_oo2zeta12*t80;
t79=t78+t76;
t76=t1*t74;
t81=t64*t25;
t82=t72*t7;
t83=t82+t81;
t81=t4*t83;
t82=t81+t76;
t81=t4*t82;
t84=t81+t79;
t79=t9*t84;
t81=t9*t77;
t85=t64*t26;
t86=t72*t15;
t87=t86+t85;
t85=t4*t87;
t86=t85+t81;
t85=t27*t86;
t88=t85+t79;
t85=t9*t80;
t89=t64*t15;
t90=t72*t20;
t91=t90+t89;
t89=t4*t91;
t90=t89+t85;
int_v_list130[27]=t90;
t89=t6*t90;
t92=t89+t88;
t88=t9*t82;
t89=t12*t87;
t93=t89+t88;
t94=int_v_oo2zeta12*t91;
t95=t94+t93;
t93=t9*t83;
t96=t64*t43;
t43=t72*t26;
t97=t43+t96;
t43=t4*t97;
t96=t43+t93;
t43=t4*t96;
t98=t43+t95;
t43=t4*t98;
t95=t43+t92;
int_v_list330[97]=t95;
t43=t35*t46;
t92=t14+t43;
t43=t35*int_v_list003[0];
t99=t44*int_v_list002[0];
t100=t99+t43;
t43=t44*t100;
t99=t43+t92;
t43=t12*t99;
t92=t35*t100;
t101=t19+t92;
t92=t35*int_v_list002[0];
t102=t44*int_v_list001[0];
t103=t102+t92;
t92=t44*t103;
t102=t92+t101;
t92=int_v_oo2zeta12*t102;
t101=t92+t43;
t104=t35*int_v_list005[0];
t105=t44*int_v_list004[0];
t106=t105+t104;
t104=t35*t106;
t105=t24+t104;
t104=t44*t46;
t107=t104+t105;
t104=t4*t107;
t105=t4*t104;
t108=t105+t101;
t105=t1*t108;
t109=t1*t99;
t110=t11*t7;
t111=int_v_oo2zeta34*t16;
t112=t111+t110;
t110=t35*t55;
t111=t110+t112;
t110=t44*t49;
t113=t110+t111;
t110=t4*t113;
t111=t110+t109;
t110=t27*t111;
t114=t110+t105;
t110=t1*t102;
t115=t11*t16;
t116=int_v_oo2zeta34*t21;
t117=t116+t115;
t115=t35*t49;
t116=t115+t117;
t115=t44*t52;
t118=t115+t116;
t115=t4*t118;
t116=t115+t110;
int_v_list130[26]=t116;
t115=t6*t116;
t119=t115+t114;
t114=t1*t104;
t115=t12*t113;
t120=t115+t114;
t121=int_v_oo2zeta12*t118;
t122=t121+t120;
t120=t1*t107;
t123=t11*t25;
t124=int_v_oo2zeta34*t7;
t125=t124+t123;
t123=t35*t42;
t124=t44*t25;
t126=t124+t123;
t123=t35*t126;
t124=t123+t125;
t123=t44*t55;
t126=t123+t124;
t123=t4*t126;
t124=t123+t120;
t123=t4*t124;
t127=t123+t122;
t122=t4*t127;
t123=t122+t119;
int_v_list330[96]=t123;
t119=t35*t74;
t122=t64*int_v_list003[0];
t128=t72*int_v_list002[0];
t129=t128+t122;
t122=t44*t129;
t128=t122+t119;
t119=t12*t128;
t122=t35*t129;
t130=t64*int_v_list002[0];
t131=t72*int_v_list001[0];
t132=t131+t130;
t130=t44*t132;
t131=t130+t122;
t122=int_v_oo2zeta12*t131;
t130=t122+t119;
t133=t64*int_v_list005[0];
t134=t72*int_v_list004[0];
t135=t134+t133;
t133=t35*t135;
t134=t44*t74;
t136=t134+t133;
t133=t4*t136;
t134=t4*t133;
t137=t134+t130;
t130=t1*t137;
t134=t1*t128;
t138=t35*t83;
t139=t44*t77;
t140=t139+t138;
t138=t4*t140;
t139=t138+t134;
t134=t27*t139;
t138=t134+t130;
t130=t1*t131;
t134=t35*t77;
t141=t44*t80;
t142=t141+t134;
t134=t4*t142;
t141=t134+t130;
int_v_list130[25]=t141;
t130=t6*t141;
t134=t130+t138;
t130=t1*t133;
t138=t12*t140;
t143=t138+t130;
t130=int_v_oo2zeta12*t142;
t144=t130+t143;
t143=t1*t136;
t145=t64*t42;
t42=t72*t25;
t25=t42+t145;
t42=t35*t25;
t145=t44*t83;
t146=t145+t42;
t42=t4*t146;
t145=t42+t143;
t42=t4*t145;
t143=t42+t144;
t42=t4*t143;
t144=t42+t134;
int_v_list330[95]=t144;
t42=t64*t74;
t134=t14+t42;
t14=t72*t129;
t42=t14+t134;
t14=t12*t42;
t134=t64*t129;
t147=t19+t134;
t19=t72*t132;
t134=t19+t147;
t19=int_v_oo2zeta12*t134;
t147=t19+t14;
t148=t64*t135;
t149=t24+t148;
t24=t72*t74;
t148=t24+t149;
t24=t4*t148;
t149=t4*t24;
t150=t149+t147;
t149=t1*t150;
t151=t1*t42;
t152=t64*t83;
t153=t112+t152;
t112=t72*t77;
t152=t112+t153;
t112=t4*t152;
t153=t112+t151;
t112=t27*t153;
t154=t112+t149;
t112=t1*t134;
t155=t64*t77;
t156=t117+t155;
t117=t72*t80;
t155=t117+t156;
t117=t4*t155;
t156=t117+t112;
int_v_list130[24]=t156;
t117=t6*t156;
t157=t117+t154;
t117=t1*t24;
t154=t12*t152;
t158=t154+t117;
t159=int_v_oo2zeta12*t155;
t160=t159+t158;
t158=t1*t148;
t161=t64*t25;
t25=t125+t161;
t125=t72*t83;
t161=t125+t25;
t25=t4*t161;
t125=t25+t158;
t25=t4*t125;
t162=t25+t160;
t25=t4*t162;
t160=t25+t157;
int_v_list330[94]=t160;
t25=t28*t46;
t157=t30*t100;
t163=t157+t25;
t25=t35*t107;
t157=t25+t163;
t25=t44*t99;
t163=t25+t157;