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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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t4=t36*t116;t88=t4+t94;int_v_list320[25]=t88;t4=t16*t24;t94=t80+t4;t4=t162+t94;t80=t79*t82;t82=t80+t4;t4=t36*t134;t80=t4+t82;int_v_list320[24]=t80;t4=t137*t27;t82=t144*t29;t94=t82+t4;t4=t22*t94;t82=t137*t29;t99=t144*t32;t102=t99+t82;t82=t15*t102;t99=t82+t4;t4=t25+t30;t25=t137*t8;t30=t144*t27;t82=t30+t25;t25=t137*t82;t30=t25+t4;t25=t144*t94;t82=t25+t30;t25=t137*t82;t30=t25+t99;t25=t6+t34;t6=t137*t94;t34=t6+t25;t6=t144*t102;t82=t6+t34;int_v_list220[17]=t82;t6=t144*t82;t34=t6+t30;int_v_list320[23]=t34;t6=t12+t9;t9=t137*t17;t12=t144*t10;t30=t12+t9;t9=t137*t30;t12=t9+t6;t9=t137*t10;t82=t144*t14;t94=t82+t9;t9=t144*t94;t82=t9+t12;t9=3*int_v_ooze;t12=t9*0.5;t9=t12*t82;t99=t22*t30;t102=t15*t94;t109=t102+t99;t99=t7*t17;t102=int_v_oo2zeta12*t10;t114=t102+t99;t99=t137*t39;t39=t144*t17;t102=t39+t99;t39=t137*t102;t99=t39+t114;t39=t144*t30;t30=t39+t99;t39=t137*t30;t30=t39+t109;t39=t144*t82;t99=t39+t30;t30=t23*t99;t39=t30+t9;t9=t22*t94;t30=t137*t14;t102=t144*t33;t109=t102+t30;t30=t15*t109;t102=t30+t9;t9=t137*t82;t30=t9+t102;t9=t71+t68;t68=t137*t94;t71=t68+t9;t68=t144*t109;t102=t68+t71;int_v_list210[8]=t102;t68=t144*t102;t71=t68+t30;double**restrictxx int_v_list31=int_v_list3[1];double*restrictxx int_v_list310=int_v_list31[0];int_v_list310[11]=t71;t30=t42*t71;t68=t30+t39;int_v_list320[22]=t68;t30=t56*t99;t39=t74*t71;t71=t39+t30;int_v_list320[21]=t71;t30=t137*int_v_list003[0];t39=t144*int_v_list002[0];t99=t39+t30;t30=t2*t99;t39=t37+t30;t30=t43+t39;t37=t137*t49;t39=t11+t37;t37=t144*t44;t43=t37+t39;t37=t137*t43;t39=t37+t30;t30=t137*t44;t37=t13+t30;t30=t144*t46;t109=t30+t37;t30=t144*t109;t37=t30+t39;t30=t16*t37;t39=t16*t44;t114=t137*t98;t116=t114+t39;t39=t144*t100;t114=t39+t116;t39=t22*t114;t116=t39+t30;t30=t16*t46;t39=t137*t100;t122=t39+t30;t30=t144*t103;t39=t30+t122;t30=t15*t39;t122=t30+t116;t30=t16*t43;t43=t87+t30;t30=t95+t43;t43=t16*t49;t87=t137*t108;t95=t87+t43;t43=t144*t98;t87=t43+t95;t43=t137*t87;t87=t43+t30;t30=t144*t114;t43=t30+t87;t30=t137*t43;t43=t30+t122;t30=t16*t109;t87=t101+t30;t30=t106+t87;t87=t137*t114;t95=t87+t30;t30=t144*t39;t39=t30+t95;int_v_list220[14]=t39;t30=t144*t39;t39=t30+t43;int_v_list320[20]=t39;t30=t137*t81;t43=t144*t76;t87=t43+t30;t30=t137*t87;t43=t77+t30;t30=t137*t76;t77=t144*t78;t95=t77+t30;t30=t144*t95;t77=t30+t43;t30=t12*t77;t12=t22*t87;t43=t15*t95;t101=t43+t12;t12=t137*t124;t43=t144*t81;t106=t43+t12;t12=t137*t106;t43=t7*t81;t106=int_v_oo2zeta12*t76;t114=t106+t43;t43=t114+t12;t12=t144*t87;t87=t12+t43;t12=t137*t87;t43=t12+t101;t12=t144*t77;t87=t12+t43;t12=t23*t87;t43=t12+t30;t12=t22*t95;t30=t137*t78;t87=t144*t121;t101=t87+t30;t30=t15*t101;t87=t30+t12;t12=t137*t77;t30=t12+t87;t12=t137*t95;t87=t128+t12;t12=t144*t101;t101=t12+t87;int_v_list210[6]=t101;t12=t144*t101;t87=t12+t30;int_v_list310[9]=t87;t12=t42*t87;t30=t12+t43;int_v_list320[19]=t30;t12=t137*t117;t43=t144*t123;t87=t43+t12;t12=t22*t87;t43=t137*t123;t106=t144*t133;t114=t106+t43;t43=t15*t114;t106=t43+t12;t12=t137*t136;t43=t144*t117;t116=t43+t12;t12=t137*t116;t43=t135+t12;t12=t144*t87;t116=t12+t43;t12=t137*t116;t43=t12+t106;t12=t137*t87;t87=t140+t12;t12=t144*t114;t106=t12+t87;int_v_list220[12]=t106;t12=t144*t106;t87=t12+t43;int_v_list320[18]=t87;t12=t79*t27;t43=t36*t29;t106=t43+t12;t12=t7*t106;t43=t79*t29;t29=t36*t32;t32=t29+t43;t29=int_v_oo2zeta12*t32;t43=t29+t12;t12=t79*t8;t8=t36*t27;t27=t8+t12;t8=t137*t27;t12=t144*t106;t29=t12+t8;t8=t137*t29;t12=t8+t43;t8=t137*t106;t29=t144*t32;t43=t29+t8;int_v_list220[11]=t43;t8=t144*t43;t29=t8+t12;int_v_list320[17]=t29;t8=t79*t60;t12=t36*t63;t43=t12+t8;t8=t7*t43;t12=t79*t17;t63=t36*t10;t114=t63+t12;t12=t137*t114;t63=t79*t10;t116=t36*t14;t122=t116+t63;t63=t144*t122;t116=t63+t12;t12=t2*t116;t63=t12+t8;t8=t23*t122;t12=t79*t14;t124=t36*t33;t33=t124+t12;t12=t42*t33;t124=t12+t8;t8=int_v_oo2zeta12*t124;t12=t8+t63;t8=t79*t66;t63=t36*t60;t60=t63+t8;t8=t137*t60;t63=t2*t114;t66=t63+t8;t8=t144*t43;t128=t8+t66;t8=t137*t128;t66=t8+t12;t8=t137*t43;t12=t2*t122;t128=t12+t8;t8=t144*t124;t12=t8+t128;int_v_list220[10]=t12;t8=t144*t12;t12=t8+t66;int_v_list320[16]=t12;t8=t79*t90;t66=t2*t10;t10=t66+t8;t8=t36*t93;t66=t8+t10;t8=t7*t66;t10=t56*t122;t93=t2*t14;t14=t93+t10;t10=t74*t33;t93=t10+t14;t10=int_v_oo2zeta12*t93;t14=t10+t8;t8=t79*t96;t10=t2*t17;t17=t10+t8;t8=t36*t90;t10=t8+t17;t8=t137*t10;t17=t144*t66;t90=t17+t8;t8=t137*t90;t17=t8+t14;t8=t137*t66;t14=t144*t93;t90=t14+t8;int_v_list220[9]=t90;t8=t144*t90;t14=t8+t17;int_v_list320[15]=t14;t8=t79*t49;t17=t36*t44;t49=t17+t8;t8=t137*t49;t17=t79*int_v_list003[0];t90=t36*int_v_list002[0];t96=t90+t17;t17=t2*t96;t90=t17+t8;t8=t79*t44;t44=t36*t46;t128=t44+t8;t8=t144*t128;t44=t8+t90;t8=t16*t44;t90=t79*t98;t134=t36*t100;t135=t134+t90;t90=t7*t135;t134=t90+t8;t8=t79*t100;t90=t36*t103;t100=t90+t8;t8=int_v_oo2zeta12*t100;t90=t8+t134;t8=t16*t49;t103=t79*t108;t108=t36*t98;t98=t108+t103;t103=t137*t98;t108=t103+t8;t8=t144*t135;t103=t8+t108;t8=t137*t103;t103=t8+t90;t8=t16*t128;t90=t137*t135;t108=t90+t8;t8=t144*t100;t90=t8+t108;int_v_list220[8]=t90;t8=t144*t90;t90=t8+t103;int_v_list320[14]=t90;t8=t79*t81;t103=t11+t8;t8=t36*t76;t11=t8+t103;t8=t137*t11;t103=t79*t76;t108=t13+t103;t13=t36*t78;t103=t13+t108;t13=t144*t103;t108=t13+t8;t8=t2*t108;t13=t23*t11;t134=t42*t103;t138=t134+t13;t13=t7*t138;t134=t13+t8;t8=t23*t103;t13=t79*t78;t140=t55+t13;t13=t36*t121;t121=t13+t140;t13=t42*t121;t140=t13+t8;t8=int_v_oo2zeta12*t140;t13=t8+t134;t8=t2*t11;t134=t79*t125;t125=t59+t134;t59=t36*t115;t115=t59+t125;t59=t137*t115;t125=t59+t8;t8=t144*t138;t59=t8+t125;t8=t137*t59;t59=t8+t13;t8=t2*t103;t13=t137*t138;t125=t13+t8;t8=t144*t140;t13=t8+t125;int_v_list220[7]=t13;t8=t144*t13;t13=t8+t59;int_v_list320[13]=t13;t8=t16*t76;t59=t79*t117;t76=t59+t8;t8=t36*t123;t59=t8+t76;t8=t7*t59;t76=t16*t78;t78=t79*t123;t123=t78+t76;t76=t36*t133;t78=t76+t123;t76=int_v_oo2zeta12*t78;t123=t76+t8;t8=t16*t81;t76=t79*t136;t81=t76+t8;t8=t36*t117;t76=t8+t81;t8=t137*t76;t81=t144*t59;t117=t81+t8;t8=t137*t117;t81=t8+t123;t8=t137*t59;t117=t144*t78;t123=t117+t8;int_v_list220[6]=t123;t8=t144*t123;t117=t8+t81;int_v_list320[12]=t117;t8=t79*t27;t27=t4+t8;t4=t36*t106;t8=t4+t27;t4=t137*t8;t27=t79*t106;t81=t25+t27;t25=t36*t32;t27=t25+t81;int_v_list220[5]=t27;t25=t144*t27;t81=t25+t4;int_v_list320[11]=t81;t4=t61+t53;t25=t79*t60;t53=t25+t4;t4=t36*t43;t25=t4+t53;t4=t137*t25;t53=t79*t114;t60=t6+t53;t6=t36*t122;t53=t6+t60;t6=t2*t53;t60=t6+t4;t4=t23*t53;t61=t79*t122;t114=t9+t61;t9=t36*t33;t61=t9+t114;int_v_list210[2]=t61;t9=t42*t61;t114=t9+t4;int_v_list220[4]=t114;t4=t144*t114;t9=t4+t60;int_v_list320[10]=t9;t4=t85+t63;t60=t91+t4;t4=t79*t10;t10=t4+t60;t4=t36*t66;t60=t4+t10;t4=t137*t60;t10=t16*t122;t63=t56*t53;t85=t63+t10;t10=t74*t61;t63=t10+t85;int_v_list220[3]=t63;t10=t144*t63;t85=t10+t4;int_v_list320[9]=t85;t4=t79*t49;t10=t45+t4;t4=t36*t128;t45=t4+t10;t4=t16*t45;t10=t79*t98;t91=t105+t10;t10=t36*t135;t98=t10+t91;t10=t137*t98;t91=t10+t4;t4=t79*t135;t10=t111+t4;t4=t36*t100;t105=t4+t10;int_v_list220[2]=t105;t4=t144*t105;t10=t4+t91;int_v_list320[8]=t10;t4=t65+t17;t17=t75+t4;t4=t79*t11;t65=t4+t17;t4=t36*t103;t17=t4+t65;t4=t2*t17;t65=t2*t49;t49=t107+t65;t65=t112+t49;t49=t79*t115;t75=t49+t65;t49=t36*t138;t65=t49+t75;t49=t137*t65;t75=t49+t4;t4=t23*t17;t49=t36*int_v_list001[0];t91=t79*int_v_list002[0];t107=t91+t49;t49=t2*t107;t91=t118+t49;t111=t127+t91;t91=t79*t103;t112=t91+t111;t91=t36*t121;t111=t91+t112;int_v_list210[0]=t111;t91=t42*t111;t112=t91+t4;int_v_list220[1]=t112;t4=t144*t112;t91=t4+t75;int_v_list320[7]=t91;t4=t16*t11;t11=t26+t4;t4=t28+t11;t11=t79*t76;t26=t11+t4;t4=t36*t59;t11=t4+t26;t4=t137*t11;t26=t16*t103;t28=t31+t26;t26=t38+t28;t28=t79*t59;t31=t28+t26;t26=t36*t78;t28=t26+t31;int_v_list220[0]=t28;t26=t144*t28;t31=t26+t4;int_v_list320[6]=t31;t4=t22*t106;t26=t15*t32;t32=t26+t4;t4=t79*t8;t8=t4+t32;t4=t36*t27;t26=t4+t8;int_v_list320[5]=t26;t4=t22*t43;t8=t15*t124;t27=t8+t4;t4=t79*t25;t8=t4+t27;t4=t36*t114;t25=t4+t8;int_v_list320[4]=t25;t4=t22*t66;t8=t6+t4;t4=t15*t93;t6=t4+t8;t4=t79*t60;t8=t4+t6;t4=t36*t63;t6=t4+t8;int_v_list320[3]=t6;t4=t22*t135;t8=t15*t100;t27=t8+t4;t4=t79*t98;t8=t4+t27;t4=t36*t105;t27=t4+t8;int_v_list320[2]=t27;t4=t22*t138;t8=t2*t45;t32=t8+t4;t4=t15*t140;t8=t4+t32;t4=t79*t65;t32=t4+t8;t4=t36*t112;t8=t4+t32;int_v_list320[1]=t8;t4=t16*t17;t32=t22*t59;t38=t32+t4;t4=t15*t78;t32=t4+t38;t4=t79*t11;t11=t4+t32;t4=t36*t28;t28=t4+t11;int_v_list320[0]=t28;t4=t7*int_v_list002[0];t11=int_v_oo2zeta12*int_v_list001[0];t32=t11+t4;t4=t1*t5;t11=t4+t32;t4=t3*t69;t38=t4+t11;t4=t2*t38;t11=t22*t20;t38=t11+t4;t11=t15*t58;t43=t11+t38;t11=t1*t19;t38=t11+t43;t11=t3*t72;t43=t11+t38;int_v_list310[29]=t43;t11=t22*t52;t38=t1*t46;t59=t3*t104;t60=t59+t38;t38=t15*t60;t59=t38+t11;t11=t1*t51;t38=t11+t59;t11=t7*t46;t59=int_v_oo2zeta12*t104;t63=t59+t11;t65=t1*t52;t66=t65+t63;t65=t3*t60;t75=t65+t66;int_v_list210[16]=t75;t65=t3*t75;t66=t65+t38;int_v_list310[28]=t66;t38=t22*t84;t65=t15*t120;t76=t65+t38;t38=t1*t83;t1=t38+t76;t38=t3*t131;t3=t38+t1;int_v_list310[27]=t3;t1=t137*t19;t38=t144*t72;t65=t38+t1;int_v_list310[26]=t65;t1=t137*t51;t38=t4+t1;t1=t144*t75;t76=t1+t38;int_v_list310[25]=t76;t1=t137*t83;t38=t144*t131;t78=t38+t1;int_v_list310[24]=t78;t1=t79*t19;t19=t36*t72;t38=t19+t1;int_v_list310[23]=t38;t1=t79*t51;t19=t36*t75;t51=t19+t1;int_v_list310[22]=t51;t1=t79*t83;t19=t4+t1;t1=t36*t131;t4=t1+t19;int_v_list310[21]=t4;t1=t7*t20;t19=int_v_oo2zeta12*t58;t72=t19+t1;t1=t137*t139;t19=t1+t72;t1=t137*t20;t75=t144*t58;t83=t75+t1;int_v_list210[14]=t83;t1=t144*t83;t75=t1+t19;int_v_list310[20]=t75;t1=t137*t5;t19=t144*t69;t83=t19+t1;t1=t2*t83;t19=t7*t52;t83=t19+t1;t1=int_v_oo2zeta12*t60;t93=t1+t83;t83=t137*t157;t98=t83+t93;t83=t137*t52;t93=t62+t83;t62=t144*t60;t83=t62+t93;int_v_list210[13]=t83;t62=t144*t83;t83=t62+t98;int_v_list310[19]=t83;t62=t7*t84;t93=int_v_oo2zeta12*t120;t98=t93+t62;t100=t137*t161;t105=t100+t98;t98=t137*t84;t84=t144*t120;t100=t84+t98;int_v_list210[12]=t100;t84=t144*t100;t98=t84+t105;int_v_list310[18]=t98;t84=t137*t35;t100=t79*t20;t20=t36*t58;t58=t20+t100;int_v_list210[11]=t58;t20=t144*t58;t100=t20+t84;int_v_list310[17]=t100;t20=t79*t5;t5=t36*t69;t69=t5+t20;t5=t2*t69;t20=t137*t67;t69=t20+t5;t20=t79*t52;t52=t36*t60;t60=t52+t20;int_v_list210[10]=t60;t20=t144*t60;t52=t20+t69;int_v_list310[16]=t52;t20=t137*t24;t69=t144*t126;t84=t69+t20;int_v_list310[15]=t84;t20=t79*t35;t35=t72+t20;t20=t36*t58;t58=t20+t35;int_v_list310[14]=t58;t20=t1+t19;t1=t79*t67;t19=t1+t20;t1=t36*t60;t20=t1+t19;int_v_list310[13]=t20;t1=t62+t5;t5=t93+t1;t1=t79*t24;t19=t1+t5;t1=t36*t126;t5=t1+t19;int_v_list310[12]=t5;t1=t22*t109;t19=t137*t99;t24=t32+t19;t19=t137*int_v_list002[0];t35=t144*int_v_list001[0];t60=t35+t19;t19=t144*t60;t35=t19+t24;t19=t2*t35;t24=t19+t1;t1=t137*t46;t19=t55+t1;t1=t144*t104;t35=t1+t19;t1=t15*t35;t19=t1+t24;t1=t137*t37;t24=t1+t19;t1=t2*t60;t19=t11+t1;t1=t59+t19;t11=t137*t109;t19=t11+t1;t1=t144*t35;t11=t1+t19;int_v_list210[7]=t11;t1=t144*t11;t11=t1+t24;int_v_list310[10]=t11;t1=t7*t122;t19=int_v_oo2zeta12*t33;t24=t19+t1;t1=t137*t116;t19=t1+t24;t1=t137*t122;t24=t144*t33;t35=t24+t1;int_v_list210[5]=t35;t1=t144*t35;t24=t1+t19;int_v_list310[8]=t24;t1=t7*t128;t19=t137*t96;t35=t144*t107;t37=t35+t19;t19=t2*t37;t35=t19+t1;t1=t79*t46;t19=t36*t104;t37=t19+t1;t1=int_v_oo2zeta12*t37;t19=t1+t35;t1=t137*t44;t35=t1+t19;t1=t137*t128;t19=t49+t1;t1=t144*t37;t44=t1+t19;int_v_list210[4]=t44;t1=t144*t44;t19=t1+t35;int_v_list310[7]=t19;t1=t7*t103;t7=int_v_oo2zeta12*t121;t35=t7+t1;t1=t137*t108;t7=t1+t35;t1=t137*t103;t35=t144*t121;t44=t35+t1;int_v_list210[3]=t44;t1=t144*t44;t35=t1+t7;int_v_list310[6]=t35;t1=t137*t53;t7=t144*t61;t44=t7+t1;int_v_list310[5]=t44;t1=t137*t45;t7=t79*t96;t46=t32+t7;t7=t36*t107;t32=t7+t46;t7=t2*t32;t2=t7+t1;t1=t79*t128;t32=t63+t1;t1=t36*t37;t46=t1+t32;int_v_list210[1]=t46;t1=t144*t46;t32=t1+t2;int_v_list310[4]=t32;t1=t137*t17;t2=t144*t111;t49=t2+t1;int_v_list310[3]=t49;t1=t22*t122;t2=t15*t33;t33=t2+t1;t1=t79*t53;t2=t1+t33;t1=t36*t61;t33=t1+t2;int_v_list310[2]=t33;t1=t22*t128;t2=t15*t37;t37=t2+t1;t1=t79*t45;t2=t1+t37;t1=t36*t46;t37=t1+t2;int_v_list310[1]=t37;t1=t22*t103;t2=t7+t1;t1=t15*t121;t7=t1+t2;t1=t79*t17;t2=t1+t7;t1=t36*t111;t7=t1+t2;int_v_list310[0]=t7;t1=t16*t94;t2=t23*t82;t15=t2+t1;t1=t42*t102;t2=t1+t15;int_v_list220[16]=t2;t1=t56*t82;t15=t74*t102;t17=t15+t1;int_v_list220[15]=t17;t1=t16*t95;t15=t23*t77;t16=t15+t1;t1=t42*t101;t15=t1+t16;int_v_list220[13]=t15;return 1;}

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