i0313.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。

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=t70*t67;
t163=t1*int_v_list001[0];
t164=t4*t22;
t165=t164+t163;
t164=t6*t38;
t166=t164+t165;
double**restrictxx int_v_list11=int_v_list1[1];
double*restrictxx int_v_list110=int_v_list11[0];
int_v_list110[8]=t166;
t164=t86*t166;
t165=t164+t156;
int_v_list120[15]=t165;
t156=t51*t165;
t164=t156+t152;
int_v_list130[25]=t164;
t152=t8*t164;
t156=t152+t161;
t152=t1*t159;
t161=t44*t98;
t167=t51*t92;
t168=t167+t161;
t161=t14*t168;
t167=t161+t152;
t152=t44*t92;
t169=t51*t95;
t170=t169+t152;
t152=int_v_oo2zeta12*t170;
t169=t152+t167;
t167=t1*t158;
t171=t70*t48;
t48=t86*t26;
t26=t48+t171;
t48=t44*t26;
t171=t51*t98;
t172=t171+t48;
t48=t4*t172;
t171=t48+t167;
t48=t6*t168;
t167=t48+t171;
t48=t4*t167;
t171=t48+t169;
t48=t6*t162;
t169=t48+t171;
t48=t4*t169;
t171=t48+t156;
t48=t44*t96;
t156=t4*int_v_list003[0];
t173=t6*int_v_list002[0];
t174=t173+t156;
t156=t1*t174;
t173=t14*t10;
t175=t173+t156;
t176=int_v_oo2zeta12*t22;
t177=t176+t175;
t175=t4*t11;
t178=t175+t177;
t175=t6*t67;
t177=t175+t178;
t175=t70*t177;
t178=t4*int_v_list002[0];
t179=t6*int_v_list001[0];
t180=t179+t178;
t178=t1*t180;
t179=t14*t22;
t181=t179+t178;
t182=int_v_oo2zeta12*t38;
t183=t182+t181;
t181=t4*t67;
t184=t181+t183;
t181=t6*t166;
t183=t181+t184;
double**restrictxx int_v_list21=int_v_list2[1];
double*restrictxx int_v_list210=int_v_list21[0];
int_v_list210[17]=t183;
t181=t86*t183;
t184=t181+t175;
int_v_list220[33]=t184;
t175=t51*t184;
t181=t175+t48;
int_v_list230[55]=t181;
t48=t6*t181;
t175=t48+t171;
int_v_list330[95]=t175;
t48=t70*t88;
t171=t16+t48;
t16=t86*t90;
t48=t16+t171;
t16=t14*t48;
t171=t70*t90;
t185=t20+t171;
t20=t86*t154;
t171=t20+t185;
t20=int_v_oo2zeta12*t171;
t185=t20+t16;
t186=t70*t157;
t187=t25+t186;
t25=t86*t88;
t186=t25+t187;
t25=t4*t186;
t187=t6*t48;
t188=t187+t25;
t25=t4*t188;
t187=t25+t185;
t25=t4*t48;
t189=t6*t171;
t190=t189+t25;
t25=t6*t190;
t189=t25+t187;
t25=t1*t189;
t187=t1*t48;
t191=t70*t98;
t192=t128+t191;
t128=t86*t92;
t191=t128+t192;
t128=t4*t191;
t192=t128+t187;
t128=t70*t92;
t187=t131+t128;
t128=t86*t95;
t131=t128+t187;
t128=t6*t131;
t187=t128+t192;
t128=t29*t187;
t192=t128+t25;
t128=t1*t171;
t193=t4*t131;
t194=t193+t128;
t193=t70*t95;
t195=t136+t193;
t136=t70*t22;
t193=t86*t38;
t196=t193+t136;
int_v_list020[3]=t196;
t136=t86*t196;
t193=t136+t195;
int_v_list030[4]=t193;
t136=t6*t193;
t195=t136+t194;
int_v_list130[24]=t195;
t136=t8*t195;
t194=t136+t192;
t136=t1*t188;
t192=t14*t191;
t197=t192+t136;
t198=int_v_oo2zeta12*t131;
t199=t198+t197;
t197=t1*t186;
t200=t70*t26;
t201=t144+t200;
t144=t86*t98;
t200=t144+t201;
t144=t4*t200;
t201=t144+t197;
t144=t6*t191;
t197=t144+t201;
t144=t4*t197;
t201=t144+t199;
t144=t6*t187;
t199=t144+t201;
t144=t4*t199;
t201=t144+t194;
t144=t1*t190;
t194=t14*t131;
t202=t194+t144;
t203=int_v_oo2zeta12*t193;
t204=t203+t202;
t202=t4*t187;
t205=t202+t204;
t202=t6*t195;
t204=t202+t205;
int_v_list230[54]=t204;
t202=t6*t204;
t205=t202+t201;
int_v_list330[94]=t205;
t201=t30*t53;
t202=t32*t55;
t206=t202+t201;
t201=t44*t122;
t202=t201+t206;
t201=t51*t115;
t206=t201+t202;
t201=t4*t206;
t202=t30*t55;
t207=t32*t118;
t208=t207+t202;
t202=t44*t115;
t207=t202+t208;
t202=t51*t117;
t208=t202+t207;
t202=t6*t208;
t207=t202+t201;
t201=t29*t207;
t202=t4*t208;
t209=t30*t118;
t210=t44*int_v_list001[0];
t211=t51*int_v_list000[0];
t212=t211+t210;
int_v_list010[1]=t212;
t210=t32*t212;
t211=t210+t209;
t209=t44*t117;
t210=t209+t211;
t209=t44*t118;
t211=t39+t209;
t209=t51*t212;
t213=t209+t211;
int_v_list020[2]=t213;
t209=t51*t213;
t211=t209+t210;
int_v_list030[3]=t211;
t209=t6*t211;
t210=t209+t202;
int_v_list130[23]=t210;
t202=t8*t210;
t209=t202+t201;
t201=t14*t206;
t202=int_v_oo2zeta12*t208;
t214=t202+t201;
t215=t30*t121;
t216=t32*t53;
t217=t216+t215;
t215=t44*int_v_list006[0];
t216=t51*int_v_list005[0];
t218=t216+t215;
t215=t44*t218;
t216=t47+t215;
t215=t51*t121;
t121=t215+t216;
t215=t44*t121;
t121=t215+t217;
t215=t51*t122;
t216=t215+t121;
t121=t4*t216;
t215=t6*t206;
t217=t215+t121;
t121=t4*t217;
t215=t121+t214;
t121=t6*t207;
t218=t121+t215;
t121=t4*t218;
t215=t121+t209;
t121=t14*t208;
t209=int_v_oo2zeta12*t211;
t219=t209+t121;
t220=t4*t207;
t221=t220+t219;
t220=t6*t210;
t222=t220+t221;
int_v_list230[53]=t222;
t220=t6*t222;
t221=t220+t215;
int_v_list330[93]=t221;
t215=t13*t88;
t220=int_v_oo2zeta34*t90;
t223=t220+t215;
t215=t44*t158;
t220=t215+t223;
t215=t51*t151;
t223=t215+t220;
t215=t4*t223;
t220=t13*t90;
t224=int_v_oo2zeta34*t154;
t225=t224+t220;
t220=t44*t151;
t224=t220+t225;
t220=t51*t153;
t225=t220+t224;
t220=t6*t225;
t224=t220+t215;
t215=t29*t224;
t220=t4*t225;
t226=t13*t154;
t227=t70*int_v_list001[0];
t228=t86*int_v_list000[0];
t229=t228+t227;
int_v_list010[0]=t229;
t227=int_v_oo2zeta34*t229;
t228=t227+t226;
t226=t44*t153;
t227=t226+t228;
t226=t44*t154;
t228=t51*t229;
t230=t228+t226;
int_v_list020[1]=t230;
t226=t51*t230;
t228=t226+t227;
int_v_list030[2]=t228;
t226=t6*t228;
t227=t226+t220;
int_v_list130[22]=t227;
t220=t8*t227;
t226=t220+t215;
t215=t14*t223;
t220=int_v_oo2zeta12*t225;
t231=t220+t215;
t232=t13*t157;
t13=int_v_oo2zeta34*t88;
t233=t13+t232;
t13=t70*int_v_list006[0];
t232=t86*int_v_list005[0];
t234=t232+t13;
t13=t44*t234;
t232=t51*t157;
t235=t232+t13;
t13=t44*t235;
t232=t13+t233;
t13=t51*t158;
t233=t13+t232;
t13=t4*t233;
t232=t6*t223;
t235=t232+t13;
t13=t4*t235;
t232=t13+t231;
t13=t6*t224;
t231=t13+t232;
t13=t4*t231;
t232=t13+t226;
t13=t14*t225;
t226=int_v_oo2zeta12*t228;
t236=t226+t13;
t237=t4*t224;
t238=t237+t236;
t236=t6*t227;
t237=t236+t238;
int_v_list230[52]=t237;
t236=t6*t237;
t238=t236+t232;
int_v_list330[92]=t238;
t232=t44*t186;
t236=t51*t48;
t239=t236+t232;
t232=t4*t239;
t236=t44*t48;
t240=t51*t171;
t241=t240+t236;
t236=t6*t241;
t240=t236+t232;
t232=t29*t240;
t236=t4*t241;
t242=t44*t171;
t243=t70*t154;
t244=t39+t243;
t39=t86*t229;
t243=t39+t244;
int_v_list020[0]=t243;
t39=t51*t243;
t244=t39+t242;
int_v_list030[1]=t244;
t39=t6*t244;
t242=t39+t236;
int_v_list130[21]=t242;
t39=t8*t242;
t236=t39+t232;
t39=t14*t239;
t232=int_v_oo2zeta12*t241;
t245=t232+t39;
t246=t70*t234;
t234=t47+t246;
t47=t86*t157;
t246=t47+t234;
t47=t44*t246;
t234=t51*t186;
t247=t234+t47;
t47=t4*t247;
t234=t6*t239;
t248=t234+t47;
t47=t4*t248;
t234=t47+t245;
t47=t6*t240;
t245=t47+t234;
t47=t4*t245;
t234=t47+t236;
t47=t44*t189;
t236=t14*t171;
t249=int_v_oo2zeta12*t243;
t250=t249+t236;
t251=t4*t190;
t252=t251+t250;
t251=t4*t171;
t253=t6*t243;
t254=t253+t251;
int_v_list120[12]=t254;
t251=t6*t254;
t253=t251+t252;
int_v_list220[30]=t253;
t251=t51*t253;
t252=t251+t47;
int_v_list230[51]=t252;
t47=t6*t252;
t251=t47+t234;
int_v_list330[91]=t251;
t47=t30*t88;
t234=t32*t90;
t255=t234+t47;
t47=t70*t186;
t234=t47+t255;
t47=t86*t48;
t255=t47+t234;
t47=t4*t255;
t234=t30*t90;
t256=t32*t154;
t257=t256+t234;
t234=t70*t48;
t256=t234+t257;
t234=t86*t171;
t257=t234+t256;
t234=t6*t257;
t256=t234+t47;
t47=t29*t256;
t234=t4*t257;
t258=t30*t154;
t259=t32*t229;
t260=t259+t258;
t258=t70*t171;
t259=t258+t260;
t258=t86*t243;
t260=t258+t259;
int_v_list030[0]=t260;
t258=t6*t260;
t259=t258+t234;
int_v_list130[20]=t259;
t234=t8*t259;
t258=t234+t47;
t47=t14*t255;
t234=int_v_oo2zeta12*t257;
t261=t234+t47;
t262=t30*t157;
t30=t32*t88;
t32=t30+t262;
t30=t70*t246;
t157=t30+t32;
t30=t86*t186;
t32=t30+t157;
t30=t4*t32;
t157=t6*t255;
t262=t157+t30;
t30=t4*t262;
t157=t30+t261;
t30=t6*t256;
t263=t30+t157;
t30=t4*t263;
t157=t30+t258;
t30=t14*t257;
t258=int_v_oo2zeta12*t260;
t264=t258+t30;
t265=t4*t256;
t266=t265+t264;
t265=t6*t259;
t267=t265+t266;
int_v_list230[50]=t267;
t265=t6*t267;
t266=t265+t157;
int_v_list330[90]=t266;
t157=int_v_W2-int_v_p122;
t265=t157*t43;
t268=int_v_p122-int_v_r12;
t269=t268*t46;
t270=t269+t265;
int_v_list330[89]=t270;
t265=t1*t28;
t269=t157*t78;
t271=t269+t265;
t269=t268*t85;
t272=t269+t271;
int_v_list330[88]=t272;
t269=t157*t110;
t271=t268*t114;
t273=t271+t269;
int_v_list330[87]=t273;
t269=t157*t142;
t271=t59+t269;
t59=t268*t149;
t269=t59+t271;
int_v_list330[86]=t269;
t59=t1*t96;
t271=t157*t169;
t274=t271+t59;
t59=t268*t181;
t271=t59+t274;
int_v_list330[85]=t271;
t59=t157*t199;
t274=t268*t204;
t275=t274+t59;
int_v_list330[84]=t275;
t59=t24*t124;
t274=t157*t218;
t276=t274+t59;
t59=t268*t222;
t274=t59+t276;
int_v_list330[83]=t274;
t59=t9*t155;
t276=t157*t231;
t277=t276+t59;
t276=t268*t237;
t278=t276+t277;
int_v_list330[82]=t278;
t276=t157*t245;
t277=t25+t276;
t25=t268*t252;
t276=t25+t277;
int_v_list330[81]=t276;
t25=t157*t263;
t277=t268*t267;
t279=t277+t25;
int_v_list330[80]=t279;
t25=int_v_W1-int_v_p121;
t277=t43*t25;
t43=int_v_p121-int_v_r11;
t280=t43*t46;
t46=t280+t277;
int_v_list330[79]=t46;
t277=t25*t78;
t78=t43*t85;
t85=t78+t277;
int_v_list330[78]=t85;
t78=t25*t110;
t110=t265+t78;
t78=t43*t114;
t114=t78+t110;
int_v_list330[77]=t114;
t78=t25*t142;
t110=t43*t149;
t142=t110+t78;
int_v_list330[76]=t142;
t78=t25*t169;
t110=t1*t65;
t149=t110+t78;
t78=t43*t181;
t110=t78+t149;
int_v_list330[75]=t110;
t78=t25*t199;
t149=t94+t78;
t78=t43*t204;
t94=t78+t149;
int_v_list330[74]=t94;
t78=t25*t218;
t149=t43*t222;
t169=t149+t78;
int_v_list330[73]=t169;
t78=t25*t231;
t149=t119+t78;
t78=t43*t237;
t119=t78+t149;
int_v_list330[72]=t119;
t78=t25*t245;
t149=t59+t78;
t59=t43*t252;
t78=t59+t149;
int_v_list330[71]=t78;
t59=t24*t189;
t149=t25*t263;
t181=t149+t59;
t59=t43*t267;
t149=t59+t181;
int_v_list330[70]=t149;
t59=t14*t31;
t181=int_v_oo2zeta12*t18;
t199=t181+t59;
t59=t157*t42;
t181=t268*t31;
t204=t181+t59;
t59=t157*t204;
t181=t59+t199;
t59=t157*t31;
t204=t268*t18;
t218=t204+t59;
int_v_list230[49]=t218;
t59=t268*t218;
t204=t59+t181;
int_v_list330[69]=t204;
t59=t157*t23;
t181=t268*t19;
t218=t181+t59;
t59=t1*t218;
t181=t14*t69;
t222=t181+t59;
t59=int_v_oo2zeta12*t72;
t231=t59+t222;
t222=t1*t23;
t237=t157*t81;
t245=t237+t222;
t237=t268*t69;
t252=t237+t245;
t237=t157*t252;
t245=t237+t231;
t231=t1*t19;
t237=t157*t69;
t252=t237+t231;
t237=t268*t72;
t263=t237+t252;
int_v_list230[48]=t263;
t237=t268*t263;
t252=t237+t245;
int_v_list330[68]=t252;
t237=t14*t102;
t245=int_v_oo2zeta12*t104;
t263=t245+t237;
t265=t157*t113;
t267=t268*t102;
t277=t267+t265;
t265=t157*t277;
t267=t265+t263;
t263=t157*t102;
t265=t268*t104;
t277=t265+t263;
int_v_list230[47]=t277;
t263=t268*t277;
t265=t263+t267;
int_v_list330[67]=t265;
t263=t1*t11;
t267=t157*t64;
t277=t267+t263;
t267=t268*t66;
t280=t267+t277;
t267=t9*t280;
t277=t14*t130;
t281=t277+t267;
t267=int_v_oo2zeta12*t135;
t282=t267+t281;
t281=t157*t146;
t283=t62+t281;
t62=t268*t130;
t281=t62+t283;
t62=t157*t281;
t281=t62+t282;
t62=t157*t130;
t282=t9*t66;
t283=t282+t62;
t62=t268*t135;
t282=t62+t283;
int_v_list230[46]=t282;
t62=t268*t282;
t282=t62+t281;
int_v_list330[66]=t282;
t62=t157*t99;
t281=t268*t100;
t283=t281+t62;
t62=t1*t283;
t281=t14*t162;
t284=t281+t62;
t62=int_v_oo2zeta12*t164;
t285=t62+t284;
t284=t1*t99;
t286=t157*t167;
t287=t286+t284;
t284=t268*t162;
t286=t284+t287;
t284=t157*t286;
t286=t284+t285;
t284=t1*t100;
t285=t157*t162;
t287=t285+t284;
t284=t268*t164;
t164=t284+t287;
int_v_list230[45]=t164;
t284=t268*t164;
t164=t284+t286;
int_v_list330[65]=t164;
t284=t14*t187;
t285=int_v_oo2zeta12*t195;
t286=t285+t284;
t287=t157*t197;
t288=t268*t187;
t289=t288+t287;
t287=t157*t289;
t288=t287+t286;
t286=t157*t187;
t287=t268*t195;
t289=t287+t286;
int_v_list230[44]=t289;
t286=t268*t289;
t287=t286+t288;
int_v_list330[64]=t287;
t286=t9*t54;
t288=t157*t123;
t289=t288+t286;
t286=t268*t125;
t288=t286+t289;
t286=t24*t288;
t289=t14*t207;
t290=t289+t286;
t286=int_v_oo2zeta12*t210;
t291=t286+t290;
t290=t24*t123;
t292=t157*t217;
t293=t292+t290;
t290=t268*t207;
t292=t290+t293;
t290=t157*t292;
t292=t290+t291;
t290=t24*t125;
t291=t157*t207;
t293=t291+t290;
t290=t268*t210;
t291=t290+t293;
int_v_list230[43]=t291;
t290=t268*t291;
t291=t290+t292;
int_v_list330[63]=t291;
t290=t157*t159;
t292=t79+t290;
t79=t268*t160;
t290=t79+t292;
t79=t9*t290;
t292=t14*t224;
t293=t292+t79;
t79=int_v_oo2zeta12*t227;
t294=t79+t293;
t293=t9*t159;
t295=t157*t235;
t296=t295+t293;
t295=t268*t224;
t297=t295+t296;
t295=t157*t297;
t296=t295+t294;
t294=t9*t160;
t295=t157*t224;
t297=t295+t294;
t294=t268*t227;
t295=t294+t297;
int_v_list230[42]=t295;
t294=t268*t295;
t295=t294+t296;
int_v_list330[62]=t295;
t294=t157*t188;
t296=t268*t190;
t297=t296+t294;
t294=t1*t297;
t296=t14*t240;
t298=t296+t294;
t294=int_v_oo2zeta12*t242;
t299=t294+t298;
t298=t157*t248;
t300=t136+t298;
t136=t268*t240;
t298=t136+t300;
t136=t157*t298;
t298=t136+t299;
t136=t157*t240;
t299=t144+t136;
t136=t268*t242;
t144=t136+t299;
int_v_list230[41]=t144;
t136=t268*t144;
t144=t136+t298;
int_v_list330[61]=t144;
t136=t14*t256;
t242=int_v_oo2zeta12*t259;
t298=t242+t136;
t299=t157*t262;
t300=t268*t256;
t301=t300+t299;
t299=t157*t301;
t300=t299+t298;
t298=t157*t256;
t299=t268*t259;
t301=t299+t298;
int_v_list230[40]=t301;
t298=t268*t301;
t299=t298+t300;
int_v_list330[60]=t299;
t298=t25*t42;
t42=t43*t31;
t300=t42+t298;
t42=t157*t300;
t298=t25*t31;
t31=t43*t18;
t18=t31+t298;
int_v_list230[39]=t18;
t31=t268*t18;
t298=t31+t42;
int_v_list330[59]=t298;
t31=t25*t23;
t23=t43*t19;
t42=t23+t31;
t23=t1*t42;
t31=t25*t81;
t81=t43*t69;
t301=t81+t31;
t31=t157*t301;
t81=t31+t23;
t31=t25*t69;
t69=t43*t72;
t72=t69+t31;
int_v_list230[38]=t72;
t31=t268*t72;
t69=t31+t81;
int_v_list330[58]=t69;