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📁 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。
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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;t162=t125+t161;t125=t72*t83;t161=t125+t162;t125=t4*t161;t162=t125+t158;t125=t4*t162;t163=t125+t160;t125=t4*t163;t160=t125+t157;int_v_list330[94]=t160;t125=t28*t46;t157=t30*t100;t164=t157+t125;t125=t35*t107;t157=t125+t164;t125=t44*t99;t164=t125+t157;t125=t4*t164;t157=t27*t125;t165=t28*t100;t166=t30*t103;t167=t166+t165;t165=t35*t99;t166=t165+t167;t165=t44*t102;t167=t165+t166;t165=t4*t167;int_v_list130[23]=t165;t166=t6*t165;t168=t166+t157;t157=t12*t164;t166=int_v_oo2zeta12*t167;t169=t166+t157;t170=t28*t106;t171=t30*t46;t172=t171+t170;t170=t35*int_v_list006[0];t171=t44*int_v_list005[0];t173=t171+t170;t170=t35*t173;t171=t41+t170;t170=t44*t106;t106=t170+t171;t170=t35*t106;t106=t170+t172;t170=t44*t107;t171=t170+t106;t106=t4*t171;t170=t4*t106;t172=t170+t169;t170=t4*t172;t173=t170+t168;int_v_list330[93]=t173;t168=t11*t74;t170=int_v_oo2zeta34*t129;t174=t170+t168;t168=t35*t136;t170=t168+t174;t168=t44*t128;t174=t168+t170;t168=t4*t174;t170=t27*t168;t175=t11*t129;t176=int_v_oo2zeta34*t132;t177=t176+t175;t175=t35*t128;t176=t175+t177;t175=t44*t131;t177=t175+t176;t175=t4*t177;int_v_list130[22]=t175;t176=t6*t175;t178=t176+t170;t170=t12*t174;t176=int_v_oo2zeta12*t177;t179=t176+t170;t180=t11*t135;t181=int_v_oo2zeta34*t74;t182=t181+t180;t180=t64*int_v_list006[0];t181=t72*int_v_list005[0];t183=t181+t180;t180=t35*t183;t181=t44*t135;t184=t181+t180;t180=t35*t184;t181=t180+t182;t180=t44*t136;t182=t180+t181;t180=t4*t182;t181=t4*t180;t184=t181+t179;t179=t4*t184;t181=t179+t178;int_v_list330[92]=t181;t178=t35*t148;t179=t44*t42;t185=t179+t178;t178=t4*t185;t179=t27*t178;t186=t35*t42;t187=t44*t134;t188=t187+t186;t186=t4*t188;int_v_list130[21]=t186;t187=t6*t186;t189=t187+t179;t179=t12*t185;t187=int_v_oo2zeta12*t188;t190=t187+t179;t191=t64*t183;t183=t41+t191;t41=t72*t135;t191=t41+t183;t41=t35*t191;t183=t44*t148;t192=t183+t41;t41=t4*t192;t183=t4*t41;t193=t183+t190;t183=t4*t193;t190=t183+t189;int_v_list330[91]=t190;t183=t28*t74;t189=t30*t129;t194=t189+t183;t183=t64*t148;t189=t183+t194;t183=t72*t42;t194=t183+t189;t183=t4*t194;t189=t27*t183;t195=t28*t129;t196=t30*t132;t197=t196+t195;t195=t64*t42;t196=t195+t197;t195=t72*t134;t197=t195+t196;t195=t4*t197;int_v_list130[20]=t195;t196=t6*t195;t198=t196+t189;t189=t12*t194;t196=int_v_oo2zeta12*t197;t199=t196+t189;t200=t28*t135;t135=t30*t74;t201=t135+t200;t135=t64*t191;t191=t135+t201;t135=t72*t148;t200=t135+t191;t135=t4*t200;t191=t4*t135;t201=t191+t199;t191=t4*t201;t202=t191+t198;int_v_list330[90]=t202;t191=int_v_W2-int_v_p122;t198=t191*t38;int_v_list330[89]=t198;t203=t1*t22;t204=t191*t71;t205=t204+t203;int_v_list330[88]=t205;t204=t191*t98;int_v_list330[87]=t204;t206=t191*t127;t207=t51+t206;int_v_list330[86]=t207;t51=t1*t84;t206=t191*t143;t208=t206+t51;int_v_list330[85]=t208;t51=t191*t163;int_v_list330[84]=t51;t206=t18*t108;t209=t191*t172;t210=t209+t206;int_v_list330[83]=t210;t206=t9*t137;t209=t191*t184;t211=t209+t206;int_v_list330[82]=t211;t209=t191*t193;t212=t149+t209;int_v_list330[81]=t212;t149=t191*t201;int_v_list330[80]=t149;t209=int_v_W1-int_v_p121;t213=t38*t209;int_v_list330[79]=t213;t38=t209*t71;int_v_list330[78]=t38;t71=t209*t98;t98=t203+t71;int_v_list330[77]=t98;t71=t209*t127;int_v_list330[76]=t71;t127=t209*t143;t143=t1*t56;t203=t143+t127;int_v_list330[75]=t203;t127=t209*t163;t143=t79+t127;int_v_list330[74]=t143;t79=t209*t172;int_v_list330[73]=t79;t127=t209*t184;t163=t105+t127;int_v_list330[72]=t163;t105=t209*t193;t127=t206+t105;int_v_list330[71]=t127;t105=t18*t150;t172=t209*t201;t184=t172+t105;int_v_list330[70]=t184;t105=t12*t31;t172=int_v_oo2zeta12*t33;t33=t172+t105;t105=t191*t39;t172=t191*t105;t105=t172+t33;int_v_list330[69]=t105;t172=t191*t23;t193=t1*t172;t201=t12*t58;t206=t201+t193;t193=int_v_oo2zeta12*t62;t62=t193+t206;t206=t1*t23;t214=t191*t69;t215=t214+t206;t214=t191*t215;t215=t214+t62;int_v_list330[68]=t215;t62=t12*t86;t214=int_v_oo2zeta12*t90;t90=t214+t62;t216=t191*t96;t217=t191*t216;t216=t217+t90;int_v_list330[67]=t216;t90=t1*t8;t217=t191*t54;t218=t217+t90;t217=t9*t218;t219=t12*t111;t220=t219+t217;t217=int_v_oo2zeta12*t116;t116=t217+t220;t220=t191*t124;t221=t60+t220;t60=t191*t221;t220=t60+t116;int_v_list330[66]=t220;t60=t191*t82;t116=t1*t60;t221=t12*t139;t222=t221+t116;t116=int_v_oo2zeta12*t141;t141=t116+t222;t222=t1*t82;t223=t191*t145;t224=t223+t222;t222=t191*t224;t223=t222+t141;int_v_list330[65]=t223;t141=t12*t153;t222=int_v_oo2zeta12*t156;t156=t222+t141;t224=t191*t162;t225=t191*t224;t224=t225+t156;int_v_list330[64]=t224;t156=t9*t36;t225=t191*t104;t226=t225+t156;t156=t18*t226;t225=t12*t125;t227=t225+t156;t156=int_v_oo2zeta12*t165;t165=t156+t227;t227=t18*t104;t228=t191*t106;t229=t228+t227;t227=t191*t229;t228=t227+t165;int_v_list330[63]=t228;t165=t191*t133;t227=t73+t165;t73=t9*t227;t165=t12*t168;t229=t165+t73;t73=int_v_oo2zeta12*t175;t175=t73+t229;t229=t9*t133;t230=t191*t180;t231=t230+t229;t230=t191*t231;t231=t230+t175;int_v_list330[62]=t231;t175=t191*t24;t230=t1*t175;t232=t12*t178;t233=t232+t230;t230=int_v_oo2zeta12*t186;t186=t230+t233;t233=t191*t41;t234=t117+t233;t117=t191*t234;t233=t117+t186;int_v_list330[61]=t233;t117=t12*t183;t186=int_v_oo2zeta12*t195;t195=t186+t117;t234=t191*t135;t235=t191*t234;t234=t235+t195;int_v_list330[60]=t234;t195=t209*t39;t39=t191*t195;int_v_list330[59]=t39;t235=t209*t23;t23=t1*t235;t236=t209*t69;t69=t191*t236;t237=t69+t23;int_v_list330[58]=t237;t69=t209*t96;t96=t206+t69;t69=t191*t96;int_v_list330[57]=t69;t206=t209*t54;t238=t9*t206;t239=t209*t124;t124=t191*t239;t240=t124+t238;int_v_list330[56]=t240;t124=t209*t82;t82=t90+t124;t90=t1*t82;t124=t209*t145;t145=t1*t54;t54=t145+t124;t124=t191*t54;t145=t124+t90;int_v_list330[55]=t145;t90=t209*t162;t124=t88+t90;t88=t191*t124;int_v_list330[54]=t88;t90=t209*t104;t104=t18*t90;t162=t209*t106;t106=t191*t162;t238=t106+t104;int_v_list330[53]=t238;t104=t209*t133;t106=t45+t104;t45=t9*t106;t104=t209*t180;t133=t114+t104;t104=t191*t133;t114=t104+t45;int_v_list330[52]=t114;t104=t9*t67;t180=t209*t24;t241=t180+t104;t104=t1*t241;t180=t209*t41;t41=t229+t180;t180=t191*t41;t229=t180+t104;int_v_list330[51]=t229;t104=t18*t24;t24=t209*t135;t135=t24+t104;t24=t191*t135;int_v_list330[50]=t24;t104=t209*t195;t180=t33+t104;int_v_list330[49]=t180;t33=t193+t201;t104=t209*t236;t193=t104+t33;int_v_list330[48]=t193;t33=t62+t23;t23=t214+t33;t33=t209*t96;t62=t33+t23;int_v_list330[47]=t62;t23=t217+t219;t33=t209*t239;t96=t33+t23;int_v_list330[46]=t96;t23=t1*t206;t33=t221+t23;t23=t116+t33;t33=t209*t54;t54=t33+t23;int_v_list330[45]=t54;t23=t9*t82;t33=t141+t23;t23=t222+t33;t33=t209*t124;t104=t33+t23;int_v_list330[44]=t104;t23=t156+t225;t33=t209*t162;t116=t33+t23;int_v_list330[43]=t116;t23=t1*t90;t33=t165+t23;t23=t73+t33;t33=t209*t133;t73=t33+t23;int_v_list330[42]=t73;t23=t232+t45;t33=t230+t23;t23=t209*t41;t41=t23+t33;int_v_list330[41]=t41;t23=t18*t241;t33=t117+t23;t23=t186+t33;t33=t209*t135;t45=t33+t23;int_v_list330[40]=t45;t23=t191*t32;t33=t27*t23;t117=t191*t34;int_v_list130[19]=t117;t124=t6*t117;t117=t124+t33;t33=t17+t29;t17=t191*t40;t29=t191*t17;t17=t29+t33;t29=t191*t17;t17=t29+t117;int_v_list330[39]=t17;t29=t191*t59;t117=t1*t15;t124=t117+t29;t29=t27*t124;t133=t10+t13;t10=t191*t26;t13=t191*t10;t135=t13+t133;t13=t1*t135;t141=t13+t29;t13=t191*t63;t29=t1*t20;t156=t29+t13;int_v_list130[18]=t156;t13=t6*t156;t156=t13+t141;t13=t1*t10;t10=t61+t13;t13=t66+t10;t10=t191*t70;t141=t1*t26;t162=t141+t10;t10=t191*t162;t162=t10+t13;t10=t191*t162;t13=t10+t156;int_v_list330[38]=t13;t10=t191*t87;t156=t27*t10;t162=t191*t91;int_v_list130[17]=t162;t165=t6*t162;t162=t165+t156;t156=t94+t89;t165=t191*t97;t186=t191*t165;t165=t186+t156;t156=t191*t165;t165=t156+t162;int_v_list330[37]=t165;t156=t191*t7;t162=t1*t156;t186=t47+t162;t162=t50+t186;t186=t191*t55;t195=t1*t7;t201=t195+t186;t186=t191*t201;t214=t186+t162;t162=t9*t214;t186=t191*t113;t217=t53+t186;t53=t27*t217;t186=t53+t162;t53=t191*t118;t162=t57+t53;int_v_list130[16]=t162;t53=t6*t162;t57=t53+t186;t53=t9*t201;t162=t115+t53;t53=t121+t162;t162=t191*t126;t186=t65+t162;t65=t191*t186;t162=t65+t53;t53=t191*t162;t65=t53+t57;int_v_list330[36]=t65;t53=t78+t75;t57=t191*t83;t162=t191*t57;t186=t162+t53;t53=t18*t186;t162=t27*t57;t57=t191*t77;t201=t6*t57;t219=t201+t162;t162=t12*t83;t201=int_v_oo2zeta12*t77;t221=t201+t162;t162=t191*t25;t25=t191*t162;t162=t25+t221;t25=t191*t162;t162=t25+t219;t25=t35*t162;t162=t25+t53;t25=t27*t57;t53=t191*t80;double**restrictxx int_v_list12=int_v_list1[2];double*restrictxx int_v_list120=int_v_list12[0];int_v_list120[9]=t53;t201=t6*t53;t53=t201+t25;t25=t191*t186;t201=t25+t53;double**restrictxx int_v_list32=int_v_list3[2];double*restrictxx int_v_list320=int_v_list32[0];int_v_list320[21]=t201;t25=t44*t201;t53=t25+t162;int_v_list330[35]=t53;t25=t191*t152;t162=t27*t25;t201=t191*t155;int_v_list130[14]=t201;t219=t6*t201;t201=t219+t162;t162=t159+t154;t219=t191*t161;t221=t191*t219;t219=t221+t162;t162=t191*t219;t219=t162+t201;int_v_list330[34]=t219;t162=t191*t46;t201=t2+t162;t162=t9*t201;t221=t43+t162;t43=t92+t221;t92=t9*t46;t162=t191*t107;t221=t162+t92;t92=t191*t221;t162=t92+t43;t43=t18*t162;t92=t18*t99;t222=t191*t164;t225=t222+t92;t92=t27*t225;t222=t92+t43;t43=t18*t102;t92=t191*t167;t230=t92+t43;int_v_list130[13]=t230;t43=t6*t230;t92=t43+t222;t43=t18*t221;t221=t157+t43;t43=t166+t221;t157=t18*t107;t166=t191*t171;t221=t166+t157;t157=t191*t221;t166=t157+t43;t43=t191*t166;t157=t43+t92;int_v_list330[33]=t157;t43=t191*t74;t92=t1*t43;t166=t119+t92;t92=t122+t166;t166=t191*t136;t221=t76+t166;t76=t191*t221;t166=t76+t92;t76=t9*t166;t92=t9*t128;t222=t191*t174;t230=t222+t92;t222=t27*t230;t232=t222+t76;t76=t9*t131;t222=t191*t177;t236=t222+t76;int_v_list130[12]=t236;t222=t6*t236;t236=t222+t232;t222=t9*t221;t221=t170+t222;t222=t176+t221;t221=t9*t136;t232=t191*t182;t239=t232+t221;t232=t191*t239;t239=t232+t222;t222=t191*t239;t232=t222+t236;int_v_list330[32]=t232;t222=t191*t148;t236=t191*t222;t239=t147+t236;t147=t1*t239;t236=t191*t185;t242=t151+t236;t151=t27*t242;t236=t151+t147;t147=t191*t188;t151=t112+t147;int_v_list130[11]=t151;t112=t6*t151;t147=t112+t236;t112=t1*t222;t151=t179+t112;t112=t187+t151;t151=t191*t192;t222=t158+t151;t151=t191*t222;t158=t151+t112;t112=t191*t158;t151=t112+t147;int_v_list330[31]=t151;t112=t191*t194;t147=t27*t112;t158=t191*t197;int_v_list130[10]=t158;t222=t6*t158;t158=t222+t147;t147=t191*t200;t222=t191*t147;t147=t199+t222;t199=t191*t147;t147=t199+t158;int_v_list330[30]=t147;t158=t209*t32;t32=t12*t158;t199=t209*t34;int_v_list130[9]=t199;t222=int_v_oo2zeta12*t199;t236=t222+t32;t32=t209*t40;t40=t191*t32;t222=t191*t40;t40=t222+t236;int_v_list330[29]=t40;t222=t209*t59;t59=t12*t222;t236=t209*t26;t26=t191*t236;t243=t1*t26;t244=t243+t59;t59=t209*t63;int_v_list130[8]=t59;t243=int_v_oo2zeta12*t59;t245=t243+t244;t243=t209*t70;t70=t191*t243;t244=t1*t236;t246=t244+t70;t70=t191*t246;t246=t70+t245;int_v_list330[28]=t246;t70=t209*t87;t87=t117+t70;t70=t12*t87;t117=t209*t91;t245=t29+t117;int_v_list130[7]=t245;t29=int_v_oo2zeta12*t245;t117=t29+t70;t29=t209*t97;t70=t141+t29;t29=t191*t70;t97=t191*t29;t29=t97+t117;int_v_list330[27]=t29;t97=t209*t55;t117=t191*t97;t141=t209*t7;t7=t1*t141;t247=t7+t117;t117=t9*t247;t248=t209*t113;t113=t12*t248;t249=t113+t117;t113=t209*t118;int_v_list130[6]=t113;t117=int_v_oo2zeta12*t113;t250=t117+t249;t117=t9*t97;t249=t209*t126;t126=t191*t249;t251=t126+t117;t117=t191*t251;t126=t117+t250;int_v_list330[26]=t126;t117=t209*t83;t83=t195+t117;t117=t191*t83;t195=t1*t117;t250=t209*t140;t140=t1*t49;t251=t140+t250;t140=t12*t251;t250=t140+t195;t140=t209*t142;t195=t1*t52;t252=t195+t140;int_v_list130[5]=t252;t140=int_v_oo2zeta12*t252;t195=t140+t250;t140=t1*t83;t250=t209*t146;t146=t1*t55;t55=t146+t250;t146=t191*t55;t250=t146+t140;t140=t191*t250;t146=t140+t195;int_v_list330[25]=t146;t140=t209*t152;t152=t81+t140;t81=t12*t152;t140=t209*t155;t195=t85+t140;int_v_list130[4]=t195;t85=int_v_oo2zeta12*t195;t140=t85+t81;t81=t209*t161;

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