i1312ab.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。

t78=t14*t43;
t87=t104*t93;
t123=t87+t78;
t78=t104*t123;
t87=t78+t29;
t29=t104*t87;
t78=t29+t37;
int_v_list320[20]=t78;
t29=t104*t68;
t37=t104*t29;
t87=t64+t37;
t37=t3*t87;
t64=t104*t96;
t123=t70+t64;
t64=t19*t123;
t70=t64+t37;
t37=t104*t99;
t64=t71+t37;
int_v_list120[7]=t64;
t37=t12*t64;
t64=t37+t70;
t37=t3*t29;
t29=t92+t37;
t37=t98+t29;
t29=t104*t105;
t70=t79+t29;
t29=t104*t70;
t70=t29+t37;
t29=t104*t70;
t37=t29+t64;
int_v_list320[19]=t37;
t29=t104*t100;
t64=t19*t29;
t70=t104*t107;
int_v_list120[6]=t70;
t71=t12*t70;
t70=t71+t64;
t64=t104*t111;
t71=t104*t64;
t64=t110+t71;
t71=t104*t64;
t64=t71+t70;
int_v_list320[18]=t64;
t70=t117*t24;
t24=t6*t70;
t71=t117*t27;
int_v_list120[5]=t71;
t79=int_v_oo2zeta12*t71;
t110=t79+t24;
t24=t117*t35;
t35=t104*t24;
t79=t104*t35;
t35=t79+t110;
int_v_list320[17]=t35;
t79=t117*t48;
t48=t6*t79;
t110=t117*t16;
t16=t104*t110;
t130=t3*t16;
t136=t130+t48;
t48=t117*t52;
int_v_list120[4]=t48;
t130=int_v_oo2zeta12*t48;
t138=t130+t136;
t130=t117*t59;
t59=t104*t130;
t136=t3*t110;
t139=t136+t59;
t59=t104*t139;
t139=t59+t138;
int_v_list320[16]=t139;
t59=t117*t73;
t73=t74+t59;
t59=t6*t73;
t74=t117*t77;
t138=t21+t74;
int_v_list120[3]=t138;
t21=int_v_oo2zeta12*t138;
t74=t21+t59;
t21=t117*t83;
t59=t114+t21;
t21=t104*t59;
t83=t104*t21;
t21=t83+t74;
int_v_list320[15]=t21;
t74=t117*t43;
t43=t104*t74;
t83=t117*int_v_list003[0];
t114=t3*t83;
t140=t114+t43;
t43=t14*t140;
t141=t117*t85;
t85=t6*t141;
t142=t85+t43;
t43=t117*t88;
int_v_list120[2]=t43;
t85=int_v_oo2zeta12*t43;
t143=t85+t142;
t85=t14*t74;
t142=t117*t93;
t93=t104*t142;
t144=t93+t85;
t85=t104*t144;
t93=t85+t143;
int_v_list320[14]=t93;
t85=t117*t68;
t143=t10+t85;
t10=t104*t143;
t85=t3*t10;
t144=t117*t96;
t96=t45+t144;
t45=t6*t96;
t144=t45+t85;
t45=t117*t99;
t85=t46+t45;
int_v_list120[1]=t85;
t45=int_v_oo2zeta12*t85;
t46=t45+t144;
t45=t3*t143;
t144=t117*t105;
t105=t54+t144;
t54=t104*t105;
t144=t54+t45;
t45=t104*t144;
t54=t45+t46;
int_v_list320[13]=t54;
t45=t14*t63;
t46=t117*t100;
t100=t46+t45;
t45=t6*t100;
t46=t14*t65;
t144=t117*t107;
t145=t144+t46;
int_v_list120[0]=t145;
t46=int_v_oo2zeta12*t145;
t144=t46+t45;
t45=t14*t68;
t46=t117*t111;
t68=t46+t45;
t45=t104*t68;
t46=t104*t45;
t45=t46+t144;
int_v_list320[12]=t45;
t46=t117*t24;
t24=t25+t46;
t25=t104*t24;
int_v_list320[11]=t25;
t46=t55+t50;
t50=t117*t130;
t55=t50+t46;
t46=t104*t55;
t50=t117*t110;
t110=t97+t50;
t50=t3*t110;
t97=t50+t46;
int_v_list320[10]=t97;
t46=t75+t136;
t75=t80+t46;
t46=t117*t59;
t59=t46+t75;
t46=t104*t59;
int_v_list320[9]=t46;
t75=t117*t74;
t80=t39+t75;
t39=t14*t80;
t75=t117*t142;
t111=t90+t75;
t75=t104*t111;
t90=t75+t39;
int_v_list320[8]=t90;
t39=t56+t114;
t56=t62+t39;
t39=t117*t143;
t62=t39+t56;
t39=t3*t62;
t56=t3*t74;
t74=t92+t56;
t56=t98+t74;
t74=t117*t105;
t75=t74+t56;
t56=t104*t75;
t74=t56+t39;
int_v_list320[7]=t74;
t39=t14*t143;
t56=t101+t39;
t39=t108+t56;
t56=t117*t68;
t68=t56+t39;
t39=t104*t68;
int_v_list320[6]=t39;
t56=t19*t70;
t92=t12*t71;
t71=t92+t56;
t56=t117*t24;
t24=t56+t71;
int_v_list320[5]=t24;
t56=t19*t79;
t71=t12*t48;
t48=t71+t56;
t56=t117*t55;
t55=t56+t48;
int_v_list320[4]=t55;
t48=t19*t73;
t56=t50+t48;
t48=t12*t138;
t50=t48+t56;
t48=t117*t59;
t56=t48+t50;
int_v_list320[3]=t56;
t48=t19*t141;
t50=t12*t43;
t43=t50+t48;
t48=t117*t111;
t50=t48+t43;
int_v_list320[2]=t50;
t43=t19*t96;
t48=t3*t80;
t59=t48+t43;
t43=t12*t85;
t48=t43+t59;
t43=t117*t75;
t59=t43+t48;
int_v_list320[1]=t59;
t43=t14*t62;
t48=t19*t100;
t71=t48+t43;
t43=t12*t145;
t48=t43+t71;
t43=t117*t68;
t68=t43+t48;
int_v_list320[0]=t68;
t43=t6*int_v_list002[0];
t48=int_v_oo2zeta12*int_v_list001[0];
t71=t48+t43;
t43=t1*t2;
t48=t43+t71;
t43=t3*t48;
t48=t3*int_v_list002[0];
t75=t1*t9;
t85=t75+t48;
t75=t19*t85;
t92=t75+t43;
t75=t3*int_v_list001[0];
t98=t1*t13;
t101=t98+t75;
double**restrictxx int_v_list11=int_v_list1[1];
double*restrictxx int_v_list110=int_v_list11[0];
int_v_list110[8]=t101;
t98=t12*t101;
t105=t98+t92;
t92=t1*t17;
t98=t92+t105;
double**restrictxx int_v_list31=int_v_list3[1];
double*restrictxx int_v_list310=int_v_list31[0];
int_v_list310[29]=t98;
t92=t1*t38;
t105=t19*t92;
t108=t1*t40;
int_v_list110[7]=t108;
t111=t12*t108;
t114=t111+t105;
t105=t1*t44;
t111=t105+t114;
int_v_list310[28]=t111;
t105=t1*t63;
t114=t19*t105;
t130=t1*t65;
int_v_list110[6]=t130;
t136=t12*t130;
t138=t136+t114;
t114=t1*t69;
t136=t114+t138;
int_v_list310[27]=t136;
t114=t104*t17;
int_v_list310[26]=t114;
t138=t104*t44;
t142=t43+t138;
int_v_list310[25]=t142;
t138=t104*t69;
int_v_list310[24]=t138;
t143=t117*t17;
int_v_list310[23]=t143;
t144=t117*t44;
int_v_list310[22]=t144;
t44=t117*t69;
t69=t43+t44;
int_v_list310[21]=t69;
t43=t6*t85;
t44=int_v_oo2zeta12*t101;
t101=t44+t43;
t43=t104*t94;
t44=t43+t101;
int_v_list310[20]=t44;
t43=t104*t2;
t94=t3*t43;
t43=t6*t92;
t145=t43+t94;
t94=int_v_oo2zeta12*t108;
t108=t94+t145;
t145=t104*t126;
t126=t145+t108;
int_v_list310[19]=t126;
t108=t6*t105;
t145=int_v_oo2zeta12*t130;
t130=t145+t108;
t146=t104*t86;
t86=t146+t130;
int_v_list310[18]=t86;
t130=t104*t133;
int_v_list310[17]=t130;
t146=t117*t2;
t2=t3*t146;
t146=t104*t122;
t147=t146+t2;
int_v_list310[16]=t147;
t146=t104*t91;
int_v_list310[15]=t146;
t148=t117*t133;
t133=t101+t148;
int_v_list310[14]=t133;
t101=t94+t43;
t43=t117*t122;
t94=t43+t101;
int_v_list310[13]=t94;
t43=t108+t2;
t2=t145+t43;
t43=t117*t91;
t91=t43+t2;
int_v_list310[12]=t91;
t2=t104*t9;
t43=t19*t2;
t101=t104*t13;
int_v_list110[5]=t101;
t108=t12*t101;
t101=t108+t43;
t43=t104*t102;
t102=t43+t101;
int_v_list310[11]=t102;
t43=t104*t38;
t101=t48+t43;
t43=t19*t101;
t108=t104*t121;
t121=t71+t108;
t108=t3*t121;
t121=t108+t43;
t43=t104*t40;
t108=t75+t43;
int_v_list110[4]=t108;
t43=t12*t108;
t108=t43+t121;
t43=t104*t128;
t121=t43+t108;
int_v_list310[10]=t121;
t43=t104*t63;
t108=t19*t43;
t122=t104*t65;
int_v_list110[3]=t122;
t128=t12*t122;
t122=t128+t108;
t108=t104*t87;
t87=t108+t122;
int_v_list310[9]=t87;
t108=t117*t9;
t9=t6*t108;
t122=t117*t13;
int_v_list110[2]=t122;
t128=int_v_oo2zeta12*t122;
t145=t128+t9;
t9=t104*t16;
t16=t9+t145;
int_v_list310[8]=t16;
t9=t117*t38;
t38=t6*t9;
t128=t104*t83;
t145=t3*t128;
t128=t145+t38;
t38=t117*t40;
int_v_list110[1]=t38;
t145=int_v_oo2zeta12*t38;
t148=t145+t128;
t128=t104*t140;
t140=t128+t148;
int_v_list310[7]=t140;
t128=t117*t63;
t63=t48+t128;
t48=t6*t63;
t128=t117*t65;
t145=t75+t128;
int_v_list110[0]=t145;
t75=int_v_oo2zeta12*t145;
t128=t75+t48;
t48=t104*t10;
t10=t48+t128;
int_v_list310[6]=t10;
t48=t104*t110;
int_v_list310[5]=t48;
t75=t104*t80;
t128=t117*t83;
t83=t71+t128;
t71=t3*t83;
t83=t71+t75;
int_v_list310[4]=t83;
t75=t104*t62;
int_v_list310[3]=t75;
t128=t19*t108;
t148=t12*t122;
t122=t148+t128;
t128=t117*t110;
t110=t128+t122;
int_v_list310[2]=t110;
t122=t19*t9;
t128=t12*t38;
t38=t128+t122;
t122=t117*t80;
t80=t122+t38;
int_v_list310[1]=t80;
t38=t19*t63;
t19=t71+t38;
t38=t12*t145;
t12=t38+t19;
t19=t117*t62;
t38=t19+t12;
int_v_list310[0]=t38;
t12=t14*t85;
t19=t6*t27;
t27=t19+t12;
t12=t20*int_v_list001[0];
double*restrictxx int_v_list000=int_v_list00[0];
t20=int_v_oo2zeta34*int_v_list000[0];
t71=t20+t12;
t12=t5*t13;
t20=t12+t71;
t12=t5*int_v_list001[0];
t5=t7*int_v_list000[0];
t122=t5+t12;
t5=t7*t122;
t7=t5+t20;
t5=int_v_oo2zeta12*t7;
t7=t5+t27;
t12=t1*t22;
t20=t12+t7;
double***restrictxx int_v_list2=int_v_list(2);
double**restrictxx int_v_list22=int_v_list2[2];
double*restrictxx int_v_list220=int_v_list22[0];
int_v_list220[35]=t20;
t7=t28*t17;
t12=t1*int_v_list002[0];
t27=t3*t12;
t12=t6*t13;
t128=t12+t27;
t145=int_v_oo2zeta12*t122;
t148=t145+t128;
t128=t1*t85;
t149=t128+t148;
double**restrictxx int_v_list21=int_v_list2[1];
double*restrictxx int_v_list210=int_v_list21[0];
int_v_list210[17]=t149;
t128=t36*t149;
t148=t128+t7;
int_v_list220[34]=t148;
t7=t53*t17;
t17=t61*t149;
t128=t17+t7;
int_v_list220[33]=t128;
t7=t6*t88;
t17=t28*t40;
t88=t71+t17;
t17=t28*int_v_list001[0];
t149=t36*int_v_list000[0];
t150=t149+t17;
t17=t36*t150;
t149=t17+t88;
t17=int_v_oo2zeta12*t149;
t88=t17+t7;
t149=t1*t34;
t151=t149+t88;
int_v_list220[32]=t151;
t149=t6*t99;
t99=t28*t65;
t152=t53*int_v_list001[0];
t153=t61*int_v_list000[0];
t154=t153+t152;
t152=t36*t154;
t153=t152+t99;
t99=int_v_oo2zeta12*t153;
t152=t99+t149;
t153=t1*t89;
t155=t153+t152;
int_v_list220[31]=t155;
t152=t6*t107;
t107=t53*t65;
t153=t71+t107;
t71=t61*t154;
t107=t71+t153;
t71=int_v_oo2zeta12*t107;
t107=t71+t152;
t153=t1*t23;
t156=t153+t107;
int_v_list220[30]=t156;
t153=t104*t22;
int_v_list220[29]=t153;
t157=t3*t85;
t158=t104*t47;
t159=t158+t157;
int_v_list220[28]=t159;
t158=t104*t72;
int_v_list220[27]=t158;
t160=t14*t92;
t161=t104*t34;
t162=t161+t160;
int_v_list220[26]=t162;
t160=t104*t89;
t161=t3*t105;
t163=t161+t160;
int_v_list220[25]=t163;
t160=t104*t23;
int_v_list220[24]=t160;
t161=t117*t22;
int_v_list220[23]=t161;
t22=t117*t47;
int_v_list220[22]=t22;
t47=t117*t72;
t72=t157+t47;
int_v_list220[21]=t72;
t47=t117*t34;
int_v_list220[20]=t47;
t34=t117*t89;
t89=t3*t92;
t157=t89+t34;
int_v_list220[19]=t157;
t34=t14*t105;
t89=t117*t23;
t23=t89+t34;
int_v_list220[18]=t23;
t34=t5+t19;
t5=t104*t15;
t15=t5+t34;
int_v_list220[17]=t15;
t5=t3*t2;
t19=t6*t52;
t52=t19+t5;
t5=t28*t13;
t89=t36*t122;
t164=t89+t5;
t5=int_v_oo2zeta12*t164;
t89=t5+t52;
t52=t104*t82;
t82=t52+t89;
int_v_list220[16]=t82;
t52=t6*t77;
t77=t53*t13;
t13=t61*t122;
t53=t13+t77;
t13=int_v_oo2zeta12*t53;
t53=t13+t52;
t61=t104*t8;
t8=t61+t53;
int_v_list220[15]=t8;
t53=t14*t101;
t61=t7+t53;
t7=t17+t61;
t17=t104*t134;
t53=t17+t7;
int_v_list220[14]=t53;
t7=t3*t43;
t17=t149+t7;
t7=t99+t17;
t17=t104*t123;
t61=t17+t7;
int_v_list220[13]=t61;
t7=t104*t29;
t17=t107+t7;
int_v_list220[12]=t17;
t7=t104*t70;
int_v_list220[11]=t7;
t29=t104*t79;
t77=t3*t108;
t89=t77+t29;
int_v_list220[10]=t89;
t29=t104*t73;
int_v_list220[9]=t29;
t99=t14*t9;
t107=t104*t141;
t122=t107+t99;
int_v_list220[8]=t122;
t99=t3*t63;
t107=t104*t96;
t96=t107+t99;
int_v_list220[7]=t96;
t99=t104*t100;
int_v_list220[6]=t99;
t107=t117*t70;
t70=t34+t107;
int_v_list220[5]=t70;
t34=t5+t19;
t5=t117*t79;
t19=t5+t34;
int_v_list220[4]=t19;
t5=t52+t77;
t34=t13+t5;
t5=t117*t73;
t13=t5+t34;
int_v_list220[3]=t13;
t5=t117*t141;
t34=t88+t5;
int_v_list220[2]=t34;
t5=t28*t62;
t28=t117*int_v_list002[0];
t52=t3*t28;
t28=t6*t65;
t62=t28+t52;
t65=int_v_oo2zeta12*t154;
t73=t65+t62;
t62=t117*t63;
t77=t62+t73;
int_v_list210[0]=t77;
t62=t36*t77;
t36=t62+t5;
int_v_list220[1]=t36;
t5=t14*t63;
t14=t152+t5;
t5=t71+t14;
t14=t117*t100;
t62=t14+t5;
int_v_list220[0]=t62;
t5=t6*t40;
t6=int_v_oo2zeta12*t150;
t14=t6+t5;
t40=t1*t92;
t71=t40+t14;
int_v_list210[16]=t71;
t40=t65+t28;
t28=t1*t105;
t1=t28+t40;
int_v_list210[15]=t1;
t28=t104*t85;
int_v_list210[14]=t28;
t65=t104*t92;
t73=t27+t65;
int_v_list210[13]=t73;
t65=t104*t105;
int_v_list210[12]=t65;
t77=t117*t85;
int_v_list210[11]=t77;
t79=t117*t92;
int_v_list210[10]=t79;
t85=t117*t105;
t88=t27+t85;
int_v_list210[9]=t88;
t27=t145+t12;
t12=t104*t2;
t2=t12+t27;
int_v_list210[8]=t2;
t12=t104*int_v_list002[0];
t85=t3*t12;
t3=t5+t85;
t5=t6+t3;
t3=t104*t101;
t6=t3+t5;
int_v_list210[7]=t6;
t3=t104*t43;
t5=t40+t3;
int_v_list210[6]=t5;
t3=t104*t108;
int_v_list210[5]=t3;
t12=t104*t9;
t40=t52+t12;
int_v_list210[4]=t40;
t12=t104*t63;
int_v_list210[3]=t12;
t43=t117*t108;
t52=t27+t43;
int_v_list210[2]=t52;
t27=t117*t9;
t9=t14+t27;
int_v_list210[1]=t9;
return 1;}