i0303.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。

t161=t158+t157;
t157=t4*t161;
t158=t157+t154;
t154=t4*t153;
t157=t6*t155;
t162=t157+t154;
t154=t6*t162;
t157=t154+t158;
t154=t1*t157;
t158=t45*t101;
t163=t53*t102;
t164=t163+t158;
t158=t29*t164;
t163=t158+t154;
t154=t45*t102;
t158=t72*t69;
t165=t1*int_v_list001[0];
t166=t4*t22;
t167=t166+t165;
t166=t6*t38;
t168=t166+t167;
double**restrictxx int_v_list11=int_v_list1[1];
double*restrictxx int_v_list110=int_v_list11[0];
int_v_list110[8]=t168;
t166=t88*t168;
t167=t166+t158;
int_v_list120[15]=t167;
t158=t53*t167;
t166=t158+t154;
int_v_list130[25]=t166;
t154=t8*t166;
t158=t154+t163;
t154=t1*t161;
t163=t45*t100;
t169=t53*t94;
t170=t169+t163;
t163=t14*t170;
t169=t163+t154;
t154=t45*t94;
t171=t53*t97;
t172=t171+t154;
t154=int_v_oo2zeta12*t172;
t171=t154+t169;
t169=t1*t160;
t173=t72*t48;
t48=t88*t26;
t26=t48+t173;
t48=t45*t26;
t173=t53*t100;
t174=t173+t48;
t48=t4*t174;
t173=t48+t169;
t48=t6*t170;
t169=t48+t173;
t48=t4*t169;
t173=t48+t171;
t48=t6*t164;
t171=t48+t173;
t48=t4*t171;
t173=t48+t158;
t48=t45*t98;
t158=t4*int_v_list003[0];
t175=t6*int_v_list002[0];
t176=t175+t158;
t158=t1*t176;
t175=t14*t10;
t177=t175+t158;
t178=int_v_oo2zeta12*t22;
t179=t178+t177;
t177=t4*t11;
t180=t177+t179;
t177=t6*t69;
t179=t177+t180;
t177=t72*t179;
t180=t4*int_v_list002[0];
t181=t6*int_v_list001[0];
t182=t181+t180;
t180=t9*t182;
t181=t14*int_v_list002[0];
t183=int_v_oo2zeta12*int_v_list001[0];
t184=t183+t181;
t181=t4*t176;
t183=t181+t184;
t181=t6*t182;
t185=t181+t183;
t181=t3*t185;
t183=t181+t180;
t180=t14*int_v_list001[0];
t181=int_v_oo2zeta12*int_v_list000[0];
t186=t181+t180;
t180=t4*t182;
t181=t180+t186;
t180=t4*int_v_list001[0];
t187=t6*int_v_list000[0];
t188=t187+t180;
double**restrictxx int_v_list10=int_v_list1[0];
double*restrictxx int_v_list100=int_v_list10[0];
int_v_list100[2]=t188;
t180=t6*t188;
t187=t180+t181;
double**restrictxx int_v_list20=int_v_list2[0];
double*restrictxx int_v_list200=int_v_list20[0];
int_v_list200[5]=t187;
t180=t5*t187;
t181=t180+t183;
double**restrictxx int_v_list21=int_v_list2[1];
double*restrictxx int_v_list210=int_v_list21[0];
int_v_list210[17]=t181;
t180=t88*t181;
t183=t180+t177;
int_v_list220[33]=t183;
t177=t53*t183;
t180=t177+t48;
int_v_list230[55]=t180;
t48=t6*t180;
t177=t48+t173;
int_v_list330[95]=t177;
t48=t72*t90;
t173=t16+t48;
t16=t88*t92;
t48=t16+t173;
t16=t14*t48;
t173=t72*t92;
t189=t20+t173;
t20=t88*t156;
t173=t20+t189;
t20=int_v_oo2zeta12*t173;
t189=t20+t16;
t190=t72*t159;
t191=t25+t190;
t25=t88*t90;
t190=t25+t191;
t25=t4*t190;
t191=t6*t48;
t192=t191+t25;
t25=t4*t192;
t191=t25+t189;
t25=t4*t48;
t193=t6*t173;
t194=t193+t25;
t25=t6*t194;
t193=t25+t191;
t25=t1*t193;
t191=t1*t48;
t195=t72*t100;
t196=t130+t195;
t130=t88*t94;
t195=t130+t196;
t130=t4*t195;
t196=t130+t191;
t130=t72*t94;
t191=t133+t130;
t130=t88*t97;
t133=t130+t191;
t130=t6*t133;
t191=t130+t196;
t130=t29*t191;
t196=t130+t25;
t130=t1*t173;
t197=t4*t133;
t198=t197+t130;
t197=t72*t97;
t199=t138+t197;
t138=t72*t22;
t197=t88*t38;
t200=t197+t138;
int_v_list020[3]=t200;
t138=t88*t200;
t197=t138+t199;
int_v_list030[4]=t197;
t138=t6*t197;
t199=t138+t198;
int_v_list130[24]=t199;
t138=t8*t199;
t198=t138+t196;
t138=t1*t192;
t196=t14*t195;
t201=t196+t138;
t202=int_v_oo2zeta12*t133;
t203=t202+t201;
t201=t1*t190;
t204=t72*t26;
t205=t146+t204;
t146=t88*t100;
t204=t146+t205;
t146=t4*t204;
t205=t146+t201;
t146=t6*t195;
t201=t146+t205;
t146=t4*t201;
t205=t146+t203;
t146=t6*t191;
t203=t146+t205;
t146=t4*t203;
t205=t146+t198;
t146=t1*t194;
t198=t14*t133;
t206=t198+t146;
t207=int_v_oo2zeta12*t197;
t208=t207+t206;
t206=t4*t191;
t209=t206+t208;
t206=t6*t199;
t208=t206+t209;
int_v_list230[54]=t208;
t206=t6*t208;
t209=t206+t205;
int_v_list330[94]=t209;
t205=t30*t55;
t206=t32*t57;
t210=t206+t205;
t205=t45*t124;
t206=t205+t210;
t205=t53*t117;
t210=t205+t206;
t205=t4*t210;
t206=t30*t57;
t211=t32*t120;
t212=t211+t206;
t206=t45*t117;
t211=t206+t212;
t206=t53*t119;
t212=t206+t211;
t206=t6*t212;
t211=t206+t205;
t205=t29*t211;
t206=t4*t212;
t213=t30*t120;
t214=t45*int_v_list001[0];
t215=t53*int_v_list000[0];
t216=t215+t214;
int_v_list010[1]=t216;
t214=t32*t216;
t215=t214+t213;
t213=t45*t119;
t214=t213+t215;
t213=t45*t120;
t215=t39+t213;
t213=t53*t216;
t217=t213+t215;
int_v_list020[2]=t217;
t213=t53*t217;
t215=t213+t214;
int_v_list030[3]=t215;
t213=t6*t215;
t214=t213+t206;
int_v_list130[23]=t214;
t206=t8*t214;
t213=t206+t205;
t205=t14*t210;
t206=int_v_oo2zeta12*t212;
t218=t206+t205;
t219=t30*t123;
t220=t32*t55;
t221=t220+t219;
t219=t45*int_v_list006[0];
t220=t53*int_v_list005[0];
t222=t220+t219;
t219=t45*t222;
t220=t47+t219;
t219=t53*t123;
t123=t219+t220;
t219=t45*t123;
t123=t219+t221;
t219=t53*t124;
t220=t219+t123;
t123=t4*t220;
t219=t6*t210;
t221=t219+t123;
t123=t4*t221;
t219=t123+t218;
t123=t6*t211;
t222=t123+t219;
t123=t4*t222;
t219=t123+t213;
t123=t14*t212;
t213=int_v_oo2zeta12*t215;
t223=t213+t123;
t224=t4*t211;
t225=t224+t223;
t224=t6*t214;
t226=t224+t225;
int_v_list230[53]=t226;
t224=t6*t226;
t225=t224+t219;
int_v_list330[93]=t225;
t219=t13*t90;
t224=int_v_oo2zeta34*t92;
t227=t224+t219;
t219=t45*t160;
t224=t219+t227;
t219=t53*t153;
t227=t219+t224;
t219=t4*t227;
t224=t13*t92;
t228=int_v_oo2zeta34*t156;
t229=t228+t224;
t224=t45*t153;
t228=t224+t229;
t224=t53*t155;
t229=t224+t228;
t224=t6*t229;
t228=t224+t219;
t219=t29*t228;
t224=t4*t229;
t230=t13*t156;
t231=t72*int_v_list001[0];
t232=t88*int_v_list000[0];
t233=t232+t231;
int_v_list010[0]=t233;
t231=int_v_oo2zeta34*t233;
t232=t231+t230;
t230=t45*t155;
t231=t230+t232;
t230=t45*t156;
t232=t53*t233;
t234=t232+t230;
int_v_list020[1]=t234;
t230=t53*t234;
t232=t230+t231;
int_v_list030[2]=t232;
t230=t6*t232;
t231=t230+t224;
int_v_list130[22]=t231;
t224=t8*t231;
t230=t224+t219;
t219=t14*t227;
t224=int_v_oo2zeta12*t229;
t235=t224+t219;
t236=t13*t159;
t13=int_v_oo2zeta34*t90;
t237=t13+t236;
t13=t72*int_v_list006[0];
t236=t88*int_v_list005[0];
t238=t236+t13;
t13=t45*t238;
t236=t53*t159;
t239=t236+t13;
t13=t45*t239;
t236=t13+t237;
t13=t53*t160;
t237=t13+t236;
t13=t4*t237;
t236=t6*t227;
t239=t236+t13;
t13=t4*t239;
t236=t13+t235;
t13=t6*t228;
t235=t13+t236;
t13=t4*t235;
t236=t13+t230;
t13=t14*t229;
t230=int_v_oo2zeta12*t232;
t240=t230+t13;
t241=t4*t228;
t242=t241+t240;
t240=t6*t231;
t241=t240+t242;
int_v_list230[52]=t241;
t240=t6*t241;
t242=t240+t236;
int_v_list330[92]=t242;
t236=t45*t190;
t240=t53*t48;
t243=t240+t236;
t236=t4*t243;
t240=t45*t48;
t244=t53*t173;
t245=t244+t240;
t240=t6*t245;
t244=t240+t236;
t236=t29*t244;
t240=t4*t245;
t246=t45*t173;
t247=t72*t156;
t248=t39+t247;
t39=t88*t233;
t247=t39+t248;
int_v_list020[0]=t247;
t39=t53*t247;
t248=t39+t246;
int_v_list030[1]=t248;
t39=t6*t248;
t246=t39+t240;
int_v_list130[21]=t246;
t39=t8*t246;
t240=t39+t236;
t39=t14*t243;
t236=int_v_oo2zeta12*t245;
t249=t236+t39;
t250=t72*t238;
t238=t47+t250;
t47=t88*t159;
t250=t47+t238;
t47=t45*t250;
t238=t53*t190;
t251=t238+t47;
t47=t4*t251;
t238=t6*t243;
t252=t238+t47;
t47=t4*t252;
t238=t47+t249;
t47=t6*t244;
t249=t47+t238;
t47=t4*t249;
t238=t47+t240;
t47=t45*t193;
t240=t14*t173;
t253=int_v_oo2zeta12*t247;
t254=t253+t240;
t255=t4*t194;
t256=t255+t254;
t255=t4*t173;
t257=t6*t247;
t258=t257+t255;
int_v_list120[12]=t258;
t255=t6*t258;
t257=t255+t256;
int_v_list220[30]=t257;
t255=t53*t257;
t256=t255+t47;
int_v_list230[51]=t256;
t47=t6*t256;
t255=t47+t238;
int_v_list330[91]=t255;
t47=t30*t90;
t238=t32*t92;
t259=t238+t47;
t47=t72*t190;
t238=t47+t259;
t47=t88*t48;
t259=t47+t238;
t47=t4*t259;
t238=t30*t92;
t260=t32*t156;
t261=t260+t238;
t238=t72*t48;
t260=t238+t261;
t238=t88*t173;
t261=t238+t260;
t238=t6*t261;
t260=t238+t47;
t47=t29*t260;
t238=t4*t261;
t262=t30*t156;
t263=t32*t233;
t264=t263+t262;
t262=t72*t173;
t263=t262+t264;
t262=t88*t247;
t264=t262+t263;
int_v_list030[0]=t264;
t262=t6*t264;
t263=t262+t238;
int_v_list130[20]=t263;
t238=t8*t263;
t262=t238+t47;
t47=t14*t259;
t238=int_v_oo2zeta12*t261;
t265=t238+t47;
t266=t30*t159;
t30=t32*t90;
t32=t30+t266;
t30=t72*t250;
t159=t30+t32;
t30=t88*t190;
t32=t30+t159;
t30=t4*t32;
t159=t6*t259;
t266=t159+t30;
t30=t4*t266;
t159=t30+t265;
t30=t6*t260;
t267=t30+t159;
t30=t4*t267;
t159=t30+t262;
t30=t14*t261;
t262=int_v_oo2zeta12*t264;
t268=t262+t30;
t269=t4*t260;
t270=t269+t268;
t269=t6*t263;
t271=t269+t270;
int_v_list230[50]=t271;
t269=t6*t271;
t270=t269+t159;
int_v_list330[90]=t270;
t159=int_v_W2-int_v_p122;
t269=t159*t43;
t272=int_v_p122-int_v_r12;
t273=t272*t51;
t274=t273+t269;
int_v_list330[89]=t274;
t269=t1*t28;
t273=t159*t80;
t275=t273+t269;
t273=t272*t87;
t276=t273+t275;
int_v_list330[88]=t276;
t273=t159*t112;
t275=t272*t116;
t277=t275+t273;
int_v_list330[87]=t277;
t273=t159*t144;
t275=t61+t273;
t61=t272*t151;
t273=t61+t275;
int_v_list330[86]=t273;
t61=t1*t98;
t275=t159*t171;
t278=t275+t61;
t61=t272*t180;
t275=t61+t278;
int_v_list330[85]=t275;
t61=t159*t203;
t278=t272*t208;
t279=t278+t61;
int_v_list330[84]=t279;
t61=t24*t126;
t278=t159*t222;
t280=t278+t61;
t61=t272*t226;
t278=t61+t280;
int_v_list330[83]=t278;
t61=t9*t157;
t280=t159*t235;
t281=t280+t61;
t280=t272*t241;
t282=t280+t281;
int_v_list330[82]=t282;
t280=t159*t249;
t281=t25+t280;
t25=t272*t256;
t280=t25+t281;
int_v_list330[81]=t280;
t25=t159*t267;
t281=t272*t271;
t283=t281+t25;
int_v_list330[80]=t283;
t25=int_v_W1-int_v_p121;
t281=t43*t25;
t43=int_v_p121-int_v_r11;
t284=t43*t51;
t51=t284+t281;
int_v_list330[79]=t51;
t281=t25*t80;
t80=t43*t87;
t87=t80+t281;
int_v_list330[78]=t87;
t80=t25*t112;
t112=t269+t80;
t80=t43*t116;
t116=t80+t112;
int_v_list330[77]=t116;
t80=t25*t144;
t112=t43*t151;
t144=t112+t80;
int_v_list330[76]=t144;
t80=t25*t171;
t112=t1*t67;
t151=t112+t80;
t80=t43*t180;
t112=t80+t151;
int_v_list330[75]=t112;
t80=t25*t203;
t151=t96+t80;
t80=t43*t208;
t96=t80+t151;
int_v_list330[74]=t96;
t80=t25*t222;
t151=t43*t226;
t171=t151+t80;
int_v_list330[73]=t171;
t80=t25*t235;
t151=t121+t80;
t80=t43*t241;
t121=t80+t151;
int_v_list330[72]=t121;
t80=t25*t249;
t151=t61+t80;
t61=t43*t256;
t80=t61+t151;
int_v_list330[71]=t80;
t61=t24*t193;
t151=t25*t267;
t180=t151+t61;
t61=t43*t271;
t151=t61+t180;
int_v_list330[70]=t151;
t61=t14*t31;
t180=int_v_oo2zeta12*t18;
t203=t180+t61;
t61=t159*t44;
t180=t272*t31;
t208=t180+t61;
t61=t159*t208;
t180=t61+t203;
t61=t159*t31;
t208=t272*t18;
t222=t208+t61;
int_v_list230[49]=t222;
t61=t272*t222;
t208=t61+t180;
int_v_list330[69]=t208;
t61=t159*t23;
t180=t272*t19;
t222=t180+t61;
t61=t1*t222;
t180=t14*t71;
t226=t180+t61;
t61=int_v_oo2zeta12*t74;
t235=t61+t226;
t226=t1*t23;
t241=t159*t83;
t249=t241+t226;
t241=t272*t71;
t256=t241+t249;
t241=t159*t256;
t249=t241+t235;
t235=t1*t19;
t241=t159*t71;
t256=t241+t235;
t241=t272*t74;
t267=t241+t256;
int_v_list230[48]=t267;
t241=t272*t267;
t256=t241+t249;
int_v_list330[68]=t256;
t241=t14*t104;
t249=int_v_oo2zeta12*t106;
t267=t249+t241;
t269=t159*t115;
t271=t272*t104;
t281=t271+t269;
t269=t159*t281;
t271=t269+t267;
t267=t159*t104;
t269=t272*t106;
t281=t269+t267;
int_v_list230[47]=t281;
t267=t272*t281;
t269=t267+t271;
int_v_list330[67]=t269;
t267=t1*t11;
t271=t159*t66;
t281=t271+t267;
t271=t272*t68;
t284=t271+t281;
t271=t9*t284;
t281=t14*t132;
t285=t281+t271;
t271=int_v_oo2zeta12*t137;
t286=t271+t285;
t285=t159*t148;
t287=t64+t285;
t64=t272*t132;
t285=t64+t287;
t64=t159*t285;
t285=t64+t286;
t64=t159*t132;
t286=t9*t68;
t287=t286+t64;
t64=t272*t137;
t286=t64+t287;
int_v_list230[46]=t286;
t64=t272*t286;
t286=t64+t285;
int_v_list330[66]=t286;
t64=t159*t101;
t285=t272*t102;
t287=t285+t64;
t64=t1*t287;
t285=t14*t164;
t288=t285+t64;
t64=int_v_oo2zeta12*t166;
t289=t64+t288;
t288=t1*t101;
t290=t159*t169;
t291=t290+t288;
t288=t272*t164;
t290=t288+t291;
t288=t159*t290;
t290=t288+t289;
t288=t1*t102;
t289=t159*t164;
t291=t289+t288;
t288=t272*t166;
t166=t288+t291;
int_v_list230[45]=t166;
t288=t272*t166;
t166=t288+t290;
int_v_list330[65]=t166;
t288=t14*t191;
t289=int_v_oo2zeta12*t199;
t290=t289+t288;
t291=t159*t201;
t292=t272*t191;
t293=t292+t291;
t291=t159*t293;
t292=t291+t290;
t290=t159*t191;
t291=t272*t199;
t293=t291+t290;
int_v_list230[44]=t293;
t290=t272*t293;
t291=t290+t292;
int_v_list330[64]=t291;
t290=t9*t56;
t292=t159*t125;
t293=t292+t290;
t290=t272*t127;
t292=t290+t293;
t290=t24*t292;
t293=t14*t211;
t294=t293+t290;
t290=int_v_oo2zeta12*t214;
t295=t290+t294;
t294=t24*t125;
t296=t159*t221;
t297=t296+t294;
t294=t272*t211;
t296=t294+t297;
t294=t159*t296;
t296=t294+t295;
t294=t24*t127;
t295=t159*t211;
t297=t295+t294;
t294=t272*t214;
t295=t294+t297;
int_v_list230[43]=t295;
t294=t272*t295;
t295=t294+t296;
int_v_list330[63]=t295;
t294=t159*t161;
t296=t81+t294;
t81=t272*t162;
t294=t81+t296;
t81=t9*t294;
t296=t14*t228;
t297=t296+t81;
t81=int_v_oo2zeta12*t231;
t298=t81+t297;
t297=t9*t161;
t299=t159*t239;
t300=t299+t297;
t299=t272*t228;
t301=t299+t300;
t299=t159*t301;
t300=t299+t298;
t298=t9*t162;
t299=t159*t228;
t301=t299+t298;
t298=t272*t231;
t299=t298+t301;
int_v_list230[42]=t299;
t298=t272*t299;
t299=t298+t300;
int_v_list330[62]=t299;
t298=t159*t192;
t300=t272*t194;
t301=t300+t298;
t298=t1*t301;
t300=t14*t244;
t302=t300+t298;
t298=int_v_oo2zeta12*t246;
t303=t298+t302;
t302=t159*t252;
t304=t138+t302;
t138=t272*t244;
t302=t138+t304;
t138=t159*t302;
t302=t138+t303;
t138=t159*t244;
t303=t146+t138;
t138=t272*t246;
t146=t138+t303;
int_v_list230[41]=t146;
t138=t272*t146;
t146=t138+t302;
int_v_list330[61]=t146;
t138=t14*t260;
t246=int_v_oo2zeta12*t263;
t302=t246+t138;
t303=t159*t266;
t304=t272*t260;
t305=t304+t303;
t303=t159*t305;
t304=t303+t302;
t302=t159*t260;
t303=t272*t263;
t305=t303+t302;
int_v_list230[40]=t305;
t302=t272*t305;
t303=t302+t304;
int_v_list330[60]=t303;
t302=t25*t44;
t44=t43*t31;
t304=t44+t302;
t44=t159*t304;
t302=t25*t31;
t31=t43*t18;
t18=t31+t302;
int_v_list230[39]=t18;
t31=t272*t18;
t302=t31+t44;
int_v_list330[59]=t302;
t31=t25*t23;
t23=t43*t19;
t44=t23+t31;
t23=t1*t44;
t31=t25*t83;
t83=t43*t71;
t305=t83+t31;
t31=t159*t305;
t83=t31+t23;
t31=t25*t71;
t71=t43*t74;
t74=t71+t31;
int_v_list230[38]=t74;
t31=t272*t74;
t71=t31+t83;
int_v_list330[58]=t71;
t31=t25*t115;
t83=t226+t31;
t31=t43*t104;
t115=t31+t83;
t31=t159*t115;
t83=t25*t104;
t104=t235+t83;
t83=t43*t106;
t106=t83+t104;
int_v_list230[37]=t106;