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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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t49=t15+t36;t15=t44*t49;t36=t15+t12;t12=t29*t134;t15=t157*t21;t136=t257*t40;t146=t136+t15;int_v_list120[11]=t146;t15=t8*t146;t136=t15+t12;t12=t157*t130;t15=t12+t136;t12=t76+t82;t76=t157*t134;t82=t76+t12;t76=t257*t146;t136=t76+t82;int_v_list220[17]=t136;t76=t257*t136;t82=t76+t15;double**restrictxx int_v_list32=int_v_list3[2];double*restrictxx int_v_list320=int_v_list32[0];int_v_list320[23]=t82;t15=t51*t82;t76=t15+t36;int_v_list330[38]=t76;t15=t70*t49;t36=t86*t82;t49=t36+t15;int_v_list330[37]=t49;t15=t157*t7;t36=t257*t10;t82=t36+t15;t15=t1*t82;t36=t52+t15;t15=t58+t36;t36=t157*t63;t146=t1*t7;t159=t146+t36;t36=t257*t57;t166=t36+t159;t36=t157*t166;t159=t36+t15;t15=t157*t57;t36=t1*t10;t176=t36+t15;t15=t257*t60;t179=t15+t176;t15=t257*t179;t176=t15+t159;t15=t9*t176;t159=t157*t129;t180=t9*t57;t190=t180+t159;t159=t257*t132;t180=t159+t190;t159=t29*t180;t190=t159+t15;t15=t157*t132;t159=t9*t60;t198=t159+t15;t15=t257*t137;t159=t15+t198;int_v_list130[16]=t159;t15=t8*t159;t198=t15+t190;t15=t9*t166;t166=t133+t15;t15=t140+t166;t166=t157*t145;t190=t73+t166;t73=t257*t129;t166=t73+t190;t73=t157*t166;t166=t73+t15;t15=t257*t180;t73=t15+t166;t15=t157*t73;t73=t15+t198;t15=t9*t179;t166=t141+t15;t15=t148+t166;t166=t157*t180;t180=t166+t15;t15=t257*t159;t159=t15+t180;int_v_list230[26]=t159;t15=t257*t159;t159=t15+t73;int_v_list330[36]=t159;t15=t93+t87;t73=t157*t98;t166=t257*t92;t180=t166+t73;t73=t157*t180;t166=t73+t15;t15=t157*t92;t73=t257*t95;t190=t73+t15;t15=t257*t190;t73=t15+t166;t15=t24*t73;t166=t29*t180;t198=t8*t190;t207=t198+t166;t166=t14*t98;t198=int_v_oo2zeta12*t92;t217=t198+t166;t166=t157*t26;t26=t257*t98;t198=t26+t166;t26=t157*t198;t166=t26+t217;t26=t257*t180;t180=t26+t166;t26=t157*t180;t166=t26+t207;t26=t257*t73;t180=t26+t166;t26=t44*t180;t166=t26+t15;t15=t29*t190;t26=t157*t95;t180=t257*t38;t198=t180+t26;int_v_list120[9]=t198;t26=t8*t198;t180=t26+t15;t15=t157*t73;t26=t15+t180;t15=t174+t171;t180=t157*t190;t207=t180+t15;t15=t257*t198;t180=t15+t207;int_v_list220[15]=t180;t15=t257*t180;t207=t15+t26;int_v_list320[21]=t207;t15=t51*t207;t26=t15+t166;int_v_list330[35]=t26;t15=t157*t183;t166=t257*t131;t207=t166+t15;t15=t29*t207;t166=t157*t131;t217=t257*t185;t221=t217+t166;int_v_list130[14]=t221;t166=t8*t221;t217=t166+t15;t15=t189+t184;t166=t157*t191;t225=t257*t183;t227=t225+t166;t166=t157*t227;t225=t166+t15;t15=t257*t207;t166=t15+t225;t15=t157*t166;t166=t15+t217;t15=t194+t186;t217=t157*t207;t207=t217+t15;t15=t257*t221;t217=t15+t207;int_v_list230[24]=t217;t15=t257*t217;t207=t15+t166;int_v_list330[34]=t207;t15=t157*t53;t166=t2+t15;t15=t257*t55;t217=t15+t166;t15=t9*t217;t166=t103+t15;t15=t111+t166;t103=t9*t53;t111=t157*t122;t166=t111+t103;t103=t257*t115;t111=t103+t166;t103=t157*t111;t166=t103+t15;t15=t9*t55;t103=t157*t115;t221=t103+t15;t15=t257*t117;t103=t15+t221;t15=t257*t103;t221=t15+t166;t15=t24*t221;t166=t24*t115;t225=t157*t197;t227=t225+t166;t166=t257*t199;t225=t166+t227;t166=t29*t225;t227=t166+t15;t15=t24*t117;t166=t157*t199;t232=t166+t15;t15=t257*t202;t166=t15+t232;int_v_list130[13]=t166;t15=t8*t166;t232=t15+t227;t15=t24*t111;t111=t192+t15;t15=t193+t111;t111=t24*t122;t192=t157*t206;t193=t192+t111;t111=t257*t197;t192=t111+t193;t111=t157*t192;t192=t111+t15;t15=t257*t225;t111=t15+t192;t15=t157*t111;t111=t15+t232;t15=t24*t103;t192=t121+t15;t15=t200+t192;t121=t157*t225;t192=t121+t15;t15=t257*t166;t121=t15+t192;int_v_list230[23]=t121;t15=t257*t121;t121=t15+t111;int_v_list330[33]=t121;t15=t157*t88;t111=t257*t90;t166=t111+t15;t15=t1*t166;t111=t143+t15;t15=t147+t111;t111=t157*t158;t192=t91+t111;t91=t257*t151;t111=t91+t192;t91=t157*t111;t192=t91+t15;t15=t157*t151;t91=t1*t90;t193=t91+t15;t15=t257*t153;t91=t15+t193;t15=t257*t91;t193=t15+t192;t15=t9*t193;t192=t9*t151;t200=t157*t213;t225=t200+t192;t192=t257*t215;t200=t192+t225;t192=t29*t200;t225=t192+t15;t15=t9*t153;t192=t157*t215;t227=t192+t15;t15=t257*t218;t192=t15+t227;int_v_list130[12]=t192;t15=t8*t192;t227=t15+t225;t15=t9*t111;t111=t205+t15;t15=t210+t111;t111=t9*t158;t225=t157*t223;t232=t225+t111;t225=t257*t213;t235=t225+t232;t225=t157*t235;t232=t225+t15;t15=t257*t200;t225=t15+t232;t15=t157*t225;t225=t15+t227;t15=t9*t91;t227=t13+t15;t15=t216+t227;t227=t157*t200;t200=t227+t15;t15=t257*t192;t192=t15+t200;int_v_list230[22]=t192;t15=t257*t192;t192=t15+t225;int_v_list330[32]=t192;t15=t157*t178;t200=t257*t48;t225=t200+t15;t15=t157*t225;t200=t177+t15;t15=t157*t48;t177=t257*t169;t227=t177+t15;t15=t257*t227;t177=t15+t200;t15=t24*t177;t200=t29*t225;t232=t8*t227;t235=t232+t200;t200=t157*t236;t232=t257*t178;t236=t232+t200;t200=t157*t236;t232=t14*t178;t236=int_v_oo2zeta12*t48;t238=t236+t232;t232=t238+t200;t200=t257*t225;t225=t200+t232;t200=t157*t225;t225=t200+t235;t200=t257*t177;t232=t200+t225;t200=t44*t232;t225=t200+t15;t15=t29*t227;t200=t157*t169;t232=t257*t233;t235=t232+t200;int_v_list120[6]=t235;t200=t8*t235;t232=t200+t15;t15=t157*t177;t200=t15+t232;t15=t157*t227;t232=t240+t15;t15=t257*t235;t235=t15+t232;int_v_list220[12]=t235;t15=t257*t235;t232=t15+t200;int_v_list320[18]=t232;t15=t51*t232;t200=t15+t225;int_v_list330[31]=t200;t15=t157*t245;t225=t257*t247;t232=t225+t15;t15=t29*t232;t225=t157*t247;t236=t257*t248;t238=t236+t225;int_v_list130[10]=t238;t225=t8*t238;t236=t225+t15;t15=t157*t32;t225=t257*t245;t240=t225+t15;t15=t157*t240;t225=t250+t15;t15=t257*t232;t240=t15+t225;t15=t157*t240;t225=t15+t236;t15=t157*t232;t232=t253+t15;t15=t257*t238;t236=t15+t232;int_v_list230[20]=t236;t15=t257*t236;t232=t15+t225;int_v_list330[30]=t232;t15=t25*t34;t225=t43*t35;t236=t225+t15;t15=t14*t236;t225=t25*t35;t35=t43*t37;t37=t35+t225;int_v_list130[9]=t37;t35=int_v_oo2zeta12*t37;t225=t35+t15;t15=t25*t5;t5=t43*t34;t34=t5+t15;t5=t157*t34;t15=t257*t236;t35=t15+t5;t5=t157*t35;t15=t5+t225;t5=t157*t236;t35=t257*t37;t225=t35+t5;int_v_list230[19]=t225;t5=t257*t225;t35=t5+t15;int_v_list330[29]=t35;t5=t25*t74;t15=t43*t77;t225=t15+t5;t5=t14*t225;t15=t25*t27;t238=t43*t17;t240=t238+t15;t15=t157*t240;t238=t25*t17;t249=t43*t21;t250=t249+t238;t238=t257*t250;t249=t238+t15;t15=t1*t249;t238=t15+t5;t5=t25*t77;t15=t44*t21;t251=t51*t40;t253=t251+t15;t15=t43*t253;t251=t15+t5;int_v_list130[8]=t251;t5=int_v_oo2zeta12*t251;t15=t5+t238;t5=t25*t80;t80=t43*t74;t74=t80+t5;t5=t157*t74;t80=t1*t240;t238=t80+t5;t5=t257*t225;t256=t5+t238;t5=t157*t256;t238=t5+t15;t5=t157*t225;t15=t1*t250;t256=t15+t5;t5=t257*t251;t15=t5+t256;int_v_list230[18]=t15;t5=t257*t15;t15=t5+t238;int_v_list330[28]=t15;t5=t25*t106;t238=t1*t17;t17=t238+t5;t5=t43*t109;t238=t5+t17;t5=t14*t238;t17=t25*t109;t256=t1*t21;t266=t256+t17;t17=t70*t21;t270=t86*t40;t273=t270+t17;t17=t43*t273;t270=t17+t266;int_v_list130[7]=t270;t17=int_v_oo2zeta12*t270;t266=t17+t5;t5=t25*t112;t17=t1*t27;t27=t17+t5;t5=t43*t106;t17=t5+t27;t5=t157*t17;t27=t257*t238;t106=t27+t5;t5=t157*t106;t27=t5+t266;t5=t157*t238;t106=t257*t270;t112=t106+t5;int_v_list230[17]=t112;t5=t257*t112;t106=t5+t27;int_v_list330[27]=t106;t5=t25*t63;t27=t43*t57;t112=t27+t5;t5=t157*t112;t27=t25*t7;t7=t43*t10;t266=t7+t27;t7=t1*t266;t27=t7+t5;t5=t25*t57;t57=t43*t60;t274=t57+t5;t5=t257*t274;t57=t5+t27;t5=t9*t57;t27=t25*t129;t275=t43*t132;t278=t275+t27;t27=t14*t278;t275=t27+t5;t5=t25*t132;t27=t43*t137;t132=t27+t5;int_v_list130[6]=t132;t5=int_v_oo2zeta12*t132;t27=t5+t275;t5=t9*t112;t137=t25*t145;t145=t43*t129;t129=t145+t137;t137=t157*t129;t145=t137+t5;t5=t257*t278;t137=t5+t145;t5=t157*t137;t137=t5+t27;t5=t9*t274;t27=t157*t278;t145=t27+t5;t5=t257*t132;t27=t5+t145;int_v_list230[16]=t27;t5=t257*t27;t27=t5+t137;int_v_list330[26]=t27;t5=t25*t98;t98=t146+t5;t5=t43*t92;t137=t5+t98;t5=t157*t137;t98=t25*t92;t145=t36+t98;t36=t43*t95;t98=t36+t145;t36=t257*t98;t145=t36+t5;t5=t1*t145;t36=t44*t137;t146=t51*t98;t275=t146+t36;t36=t14*t275;t146=t36+t5;t5=t44*t98;t36=t25*t95;t281=t1*t22;t282=t281+t36;t36=t43*t38;t38=t36+t282;int_v_list120[3]=t38;t36=t51*t38;t282=t36+t5;int_v_list130[5]=t282;t5=int_v_oo2zeta12*t282;t36=t5+t146;t5=t1*t137;t146=t25*t170;t170=t1*t63;t63=t170+t146;t146=t43*t167;t167=t146+t63;t63=t157*t167;t146=t63+t5;t5=t257*t275;t63=t5+t146;t5=t157*t63;t63=t5+t36;t5=t1*t98;t36=t157*t275;t146=t36+t5;t5=t257*t282;t36=t5+t146;int_v_list230[15]=t36;t5=t257*t36;t36=t5+t63;int_v_list330[25]=t36;t5=t25*t183;t63=t9*t92;t92=t63+t5;t5=t43*t131;t63=t5+t92;t5=t14*t63;t92=t25*t131;t131=t9*t95;t146=t131+t92;t92=t43*t185;t131=t92+t146;int_v_list130[4]=t131;t92=int_v_oo2zeta12*t131;t146=t92+t5;t5=t25*t191;t92=t105+t5;t5=t43*t183;t105=t5+t92;t5=t157*t105;t92=t257*t63;t170=t92+t5;t5=t157*t170;t92=t5+t146;t5=t157*t63;t146=t257*t131;t170=t146+t5;int_v_list230[14]=t170;t5=t257*t170;t146=t5+t92;int_v_list330[24]=t146;t5=t25*t53;t53=t43*t55;t92=t53+t5;t5=t9*t92;t53=t25*t122;t122=t43*t115;t170=t122+t53;t53=t157*t170;t122=t53+t5;t5=t25*t115;t53=t43*t117;t115=t53+t5;t5=t257*t115;t53=t5+t122;t5=t24*t53;t122=t25*t197;t183=t43*t199;t185=t183+t122;t122=t14*t185;t183=t122+t5;t5=t25*t199;t122=t43*t202;t191=t122+t5;int_v_list130[3]=t191;t5=int_v_oo2zeta12*t191;t122=t5+t183;t5=t24*t170;t183=t25*t206;t199=t43*t197;t197=t199+t183;t183=t157*t197;t199=t183+t5;t5=t257*t185;t183=t5+t199;t5=t157*t183;t183=t5+t122;t5=t24*t115;t122=t157*t185;t199=t122+t5;t5=t257*t191;t122=t5+t199;int_v_list230[13]=t122;t5=t257*t122;t122=t5+t183;int_v_list330[23]=t122;t5=t25*t88;t183=t2+t5;t2=t43*t90;t5=t2+t183;t2=t1*t5;t183=t25*t158;t158=t56+t183;t56=t43*t151;t151=t56+t158;t56=t157*t151;t158=t56+t2;t2=t44*t5;t56=t25*t90;t183=t61+t56;t56=t43*t154;t199=t56+t183;t56=t51*t199;t183=t56+t2;t2=t257*t183;t56=t2+t158;t2=t9*t56;t158=t25*t213;t202=t120+t158;t120=t43*t215;t158=t120+t202;t120=t14*t158;t202=t120+t2;t2=t25*t215;t120=t126+t2;t2=t43*t218;t126=t2+t120;int_v_list130[2]=t126;t2=int_v_oo2zeta12*t126;t120=t2+t202;t2=t9*t151;t202=t25*t223;t206=t139+t202;t139=t43*t213;t202=t139+t206;t139=t157*t202;t206=t139+t2;t139=t257*t158;t213=t139+t206;t139=t157*t213;t206=t139+t120;t120=t9*t183;t139=t157*t158;t213=t139+t120;t120=t257*t126;t139=t120+t213;int_v_list230[12]=t139;t120=t257*t139;t139=t120+t206;int_v_list330[22]=t139;t120=t9*t88;t88=t25*t178;t206=t88+t120;t88=t43*t48;t120=t88+t206;t88=t157*t120;t206=t9*t90;t213=t25*t48;t215=t213+t206;t206=t43*t169;t213=t206+t215;t206=t257*t213;t215=t206+t88;t88=t1*t215;t206=t44*t120;t218=t51*t213;t223=t218+t206;t206=t14*t223;t218=t206+t88;t88=t44*t213;t206=t9*t154;t283=t25*t169;t285=t283+t206;t206=t43*t233;t233=t206+t285;int_v_list120[0]=t233;t206=t51*t233;t283=t206+t88;int_v_list130[1]=t283;t88=int_v_oo2zeta12*t283;t206=t88+t218;t88=t1*t120;t218=t25*t237;t237=t111+t218;t111=t43*t229;t218=t111+t237;t111=t157*t218;t229=t111+t88;t88=t257*t223;t111=t88+t229;t88=t157*t111;t111=t88+t206;t88=t1*t213;t206=t157*t223;t229=t206+t88;t88=t257*t283;t206=t88+t229;int_v_list230[11]=t206;t88=t257*t206;t206=t88+t111;int_v_list330[21]=t206;t88=t24*t48;t48=t25*t245;t111=t48+t88;t48=t43*t247;t88=t48+t111;t48=t14*t88;t111=t24*t169;t169=t25*t247;t229=t169+t111;t111=t43*t248;t169=t111+t229;int_v_list130[0]=t169;t111=int_v_oo2zeta12*t169;t229=t111+t48;t48=t24*t178;t111=t25*t32;t32=t111+t48;t48=t43*t245;t111=t48+t32;t32=t157*t111;t48=t257*t88;t178=t48+t32;t32=t157*t178;t48=t32+t229;t32=t157*t88;t178=t257*t169;t229=t178+t32;int_v_list230[10]=t229;t32=t257*t229;t178=t32+t48;int_v_list330[20]=t178;t32=t25*t34;t34=t23+t32;t23=t43*t236;t32=t23+t34;t23=t157*t32;t34=t25*t236;t48=t33+t34;t33=t43*t37;t34=t33+t48;int_v_list230[9]=t34;t33=t257*t34;t48=t33+t23;int_v_list330[19]=t48;t23=t75+t68;t33=t25*t74;t68=t33+t23;t23=t43*t225;t33=t23+t68;t23=t157*t33;t68=t25*t240;t74=t3+t68;t3=t43*t250;t68=t3+t74;t3=t1*t68;t74=t3+t23;t23=t44*t68;t75=t25*t250;t229=t12+t75;t12=t25*t21;t21=t43*t40;t40=t21+t12;int_v_list120[5]=t40;t12=t43*t40;t21=t12+t229;int_v_list220[5]=t21;t12=t51*t21;t75=t12+t23;int_v_list230[8]=t75;t12=t257*t75;t23=t12+t74;int_v_list330[18]=t23;t12=t101+t80;t74=t107+t12;t12=t25*t17;t17=t12+t74;t12=t43*t238;t74=t12+t17;t12=t157*t74;t17=t9*t250;t80=t70*t68;t101=t80+t17;t17=t86*t21;t80=t17+t101;int_v_list230[7]=t80;t17=t257*t80;t101=t17+t12;int_v_list330[17]=t101;t12=t58+t52;t17=t25*t112;t52=t17+t12;t12=t43*t274;t17=t12+t52;t12=t9*t17;t52=t140+t133;t58=t25*t129;t107=t58+t52;t52=t43*t278;t58=t52+t107;t52=t157*t58;t107=t52+t12;t12=t148+t141;t52=t25*t278;t129=t52+t12;t12=t43*t132;t52=t12+t129;int_v_list230[6]=t52;t12=t257*t52;t129=t12+t107;int_v_list330[16]=t129;t12=t87+t7;t7=t93+t12;t12=t25*t137;t87=t12+t7;t7=t43*t98;t12=t7+t87;t7=t1*t12;t87=t1*t112;t93=t161+t87;t87=t152+t93;t93=t25*t167;t107=t93+t87;t87=t43*t275;t93=t87+t107;t87=t157*t93;t107=t87+t7;t7=t44*t12;t87=t25*t10;t112=t43*t22;t133=t112+t87;t87=t1*t133;t112=t171+t87;t140=t174+t112;t112=t25*t98;t141=t112+t140;t112=t43*t38;t140=t112+t141;int_v_list220[3]=t140;t112=t51*t140;t141=t112+t7;int_v_list230[5]=t141;t7=t257*t141;t112=t7+t107;int_v_list330[15]=t112;t7=t9*t137;t107=t184+t7;t7=t189+t107;t107=t25*t105;t105=t107+t7;t7=t43*t63;t107=t7+t105;t7=t157*t107;t105=t9*t98;t137=t186+t105;t105=t194+t137;t137=t25*t63;t148=t137+t105;t105=t43*t131;t137=t105+t148;int_v_list230[4]=t137;t105=t257*t137;t148=t105+t7;int_v_list330[14]=t148;t7=t25*t170;t105=t116+t7;t7=t43*t115;t116=t7+t105;t7=t24*t116;t105=t25*t197;t152=t204+t105;t105=t43*t185;t161=t105+t152;

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