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2949 lines
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224 KiB
XML
2949 lines
No EOL
224 KiB
XML
<?xml version="1.0" encoding="UTF-8"?>
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<Worksheet><Version major="6" minor="1"/><View-Properties><Zoom percentage="100"/></View-Properties><Styles><Layout alignment="left" bullet="none" name="Warning"/><Layout alignment="left" bullet="none" linespacing="0.0" name="Heading 3" spaceabove="0.0" spacebelow="0.0"/><Layout alignment="left" bullet="none" name="Error"/><Layout alignment="left" bullet="none" name="Heading 2" spaceabove="8.0" spacebelow="2.0"/><Layout alignment="left" bullet="none" name="Heading 1" spaceabove="8.0" spacebelow="4.0"/><Layout alignment="left" bullet="none" firstindent="0.0" leftmargin="0.0" linebreak="space" name="Normal" rightmargin="0.0" spaceabove="0.0" spacebelow="0.0"/><Layout alignment="centred" bullet="none" name="Maple Plot"/><Layout alignment="centred" bullet="none" linespacing="0.5" name="Maple Output"/><Font background="[0,0,0]" bold="true" executable="true" family="Monospaced" foreground="[255,0,0]" name="Maple Input" opaque="false" size="12"/><Font background="[0,0,0]" bold="false" family="Times New Roman" foreground="[0,0,0]" italic="false" name="Text" opaque="false" size="12" underline="false"/><Font background="[0,0,0]" family="Monospaced" foreground="[0,0,255]" name="Warning" opaque="false" readonly="true" size="12"/><Font background="[0,0,0]" family="Monospaced" foreground="[0,0,255]" name="Line Printed Output" opaque="false" readonly="true" size="12"/><Font background="[0,0,0]" bold="true" family="Serif" italic="true" name="Heading 3" opaque="false" size="14"/><Font background="[0,0,0]" bold="true" family="Serif" name="Heading 2" opaque="false" size="16"/><Font background="[0,0,0]" bold="true" family="Serif" name="Heading 1" opaque="false" size="18"/><Font background="[0,0,0]" family="Monospaced" foreground="[255,0,255]" name="Error" opaque="false" readonly="true" size="12"/><Font background="[0,0,0]" family="Times New Roman" foreground="[0,0,255]" name="2D Output" opaque="false" readonly="true" size="12"/></Styles><Group><Input><Text-field layout="Normal" style="Text">The present worksheet contains the formulaes necessary to calculate the PBE functional, and to generate code that calculate it efficently in different languages (fortran for example).</Text-field><Text-field layout="Normal" style="Text">They are distributed under GPL v2 (http://www.gnu.org/copyleft/gpl.html) as part of the CP2K Project.</Text-field><Text-field layout="Normal" style="Text"/><Text-field layout="Normal" style="Text">Fawzi Mohamed</Text-field></Input></Group><Section><Title><Text-field layout="Heading 1" style="Heading 1"> PBE</Text-field></Title><Group><Input><Text-field layout="Normal" style="Text">Reference: John P. Perdew, Kieron Burke, Matthias Ernzerhof, Phys. Rev. Letter, vol. 77, n 18, pp. 3865-3868, 28. oct. (1996)</Text-field></Input></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">restart;</Text-field></Input></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">sost:=eqs -> subs(seq(eqs[nops(eqs)-i],i=1..(nops(eqs)-1)),rhs(eqs[nops(eqs)])):</Text-field></Input></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">unk:=eqs -> indets(sost(eqs),symbol):</Text-field></Input></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">loc:=eqs -> indets(eqs,symbol) minus unk(eqs):</Text-field></Input></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">loc2:=eqs -> indets(map(lhs,eqs),symbol):</Text-field></Input></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">e:='e': m:='m': h_bar:='h_bar': a_0:='a_0':myIF:='myIF':</Text-field></Input></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">e:=1: m:=1: h_bar:=1: a_0:=h_bar^2 /(m*e^2):</Text-field></Input></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">indice:=proc(el,l) local i,ii,elAtt,el_s;
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i:=-1; ii:=0; el_s:=convert(el,string);
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for elAtt in l do
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ii:=ii+1;
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if evalb(el_s=convert(elAtt,string)) then
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i:=ii;
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end if;
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end do;
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i;
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end proc:</Text-field></Input></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">indiceDef:=proc(el,l) local i,ii,elAtt;
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i:=-1; ii:=0;
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for elAtt in l do
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ii:=ii+1;
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if evalb(el=lhs(elAtt)) then
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i:=ii;
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end if;
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end do;
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i;
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end proc:</Text-field></Input></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">definizioni:= eqs -> map(eq -> if type(eq,equation) then lhs(eq); else 0; end if ,eqs):</Text-field></Input></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">sameNameSameDef:=proc(eqs1,eqs2) local commonDef,res,d;
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commonDef:=convert(definizioni(eqs1),set)intersect convert(definizioni(eqs2),set);
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res:=true;
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for d in commonDef do
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if not evalb(subs(eqs1,d)=subs(eqs2,d)) then;
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print("def different for "||d);
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res:=false;
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end if;
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end do;
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res;
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end proc:</Text-field></Input></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input"># check same name -> same def apart from eqs at the indexes returned by the function eqs_to_rm
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checkCompatible:=proc (eqss,eqs_to_rm) local i,j,im_indx,eqd1,eqd2,res,ii,attComp;
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res:=true;
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for i from 1 to nops(eqss)-1 do
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im_indx:=eqs_to_rm(eqss[i]);
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#print("removed",map(lhs,[eqss[i][im_indx[ii]]$ii=1..nops(im_indx)]));
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eqd1:=subsop('im_indx[ii]=NULL'$ii=1..nops(im_indx),eqss[i]):
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for j from i+1 to nops(eqss) do
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#print("doing (",i,j,")");
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im_indx:=eqs_to_rm(eqss[j]);
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#print("removed",map(lhs,[eqss[j][im_indx[ii]]$ii=1..nops(im_indx)]));
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eqd2:=subsop('im_indx[ii]=NULL'$ii=1..nops(im_indx),eqss[j]):
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attComp:=sameNameSameDef(eqd1,eqd2);
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res:=attComp and res;
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if not attComp then
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print("incompatibility between",i,j);
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end if;
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end do;
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end do;
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res;
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end proc: </Text-field></Input></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">getDef:=proc(symb,eqs) local eq;
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for eq in eqs do
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if(lhs(eq)=symb) then
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return eq;
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end if;
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end do;
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0;
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end proc:</Text-field></Input></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">eqUses:=(eq1,eq2)->evalb(lhs(eq2) in indets(rhs(eq1),symbol)):</Text-field></Input></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">enforceDependencies:=proc(eqs) local dep,eq1,eq2,i,j,ii,eqns;
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dep:=true;
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eqns:=eqs;
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ii:=0;
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i:=1;
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while (i<=(nops(eqs)-1) and ii<100000) do
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dep:=false;
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j:=i+1;
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while (j<=nops(eqs) and ii<100000) do
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if eqUses(eqns[i],eqns[j]) then
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ii:=ii+1;
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eqns:=subsop(i=NULL,j=(eqns[j],eqns[i]),eqns);
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dep:=true;
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else
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j:=j+1;
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end if;
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end do;
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if not dep then i:=i+1; end if;
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end do;
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eqns;
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end proc: </Text-field></Input></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">combineEqs:=proc(ord) local def,defs,allDefs,allEq;
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allDefs:=[]:
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allEq:=[]:
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for defs in ord do
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for def in defs do
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if not lhs(def) in allDefs then
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allDefs:=[op(allDefs),lhs(def)];
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allEq:=[op(allEq),def];
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end if;
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end do;
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end do;
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allEq;
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end proc:</Text-field></Input></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">combineDefs:=proc(ord) local def,defs,allDefs;
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allDefs:=[]:
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for defs in ord do
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for def in defs do
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if not def in allDefs then
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allDefs:=[op(allDefs),def];
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end if;
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end do;
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end do;
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allDefs;
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end proc:</Text-field></Input></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">sostConst:=proc(eqs) local sAtt,sToDo,result;
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sToDo:=[];
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result:=[];
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for sAtt in eqs do
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sAtt:=subs(op(sToDo),sAtt);
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if type(rhs(sAtt),numeric) then sToDo:=[op(sToDo),sAtt]; end if;
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if rhs(sAtt)<>0 then result:=[op(result),sAtt]; end if;
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end do;
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result;
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end proc:</Text-field></Input></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">calcDerivs:=proc(eqs,arg_names) local cs,r,d,eq,eq2,eq3,i;
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cs:=CompSeq(locals=loc(eqs),globals=convert(unk(eqs),set)minus convert(arg_names,set),
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params=arg_names,eqs);
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r:=convert(cs,procedure);
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d:=[seq(D[i](r),i=1..nops(arg_names))];
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eq:=map(f->op(-1,convert(f,CompSeq)),d);
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# ensure that the variables are bound in the global namespace
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eq2:=map(f->evalindets(f,symbol,g->convert(convert(g,string),symbol)),eq);
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eq3:=[seq(subs(result=convert(cat(lhs(eqs[nops(eqs)]),"_",arg_names[i]),symbol),eq2[i]),i=1..nops(arg_names))];
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end proc:</Text-field></Input></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">fCostanti:=proc(costanti,eqs) local cs,pr, pEq;
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pEq:=map(x->getDef(x,eqs),costanti);
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print(pEq);
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cs:=CompSeq(globals=costanti,pEq);
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pr:=convert(cs,procedure);
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Fortran(pr);
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end proc:</Text-field></Input></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">rmDefs:=proc(lNames,eqs) local my_eqs,nm;
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my_eqs:=eqs;
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for nm in lNames do
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my_eqs:=subsop(indiceDef(nm,my_eqs)=NULL,my_eqs);
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end do;
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my_eqs;
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end proc:</Text-field></Input></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">with(CodeGeneration);</Text-field></Input><Output><Text-field layout="Warning" style="Warning">Warning, the protected name Matlab has been redefined and unprotected</Text-field></Output><Output><Text-field layout="Maple Output" style="2D Output"><Equation>NiM3LEkiQ0c2IkkoRm9ydHJhbkdGJUkxSW50ZXJtZWRpYXRlQ29kZUdGJUklSmF2YUdGJUkzTGFuZ3VhZ2VEZWZpbml0aW9uR0YlSSdNYXRsYWJHNiRJKnByb3RlY3RlZEdGLEkoX3N5c2xpYkdGJUkmTmFtZXNHRiVJJVNhdmVHRiVJKlRyYW5zbGF0ZUdGJUksVmlzdWFsQmFzaWNHRiU=</Equation></Text-field></Output></Group><Section collapsed="true"><Title><Text-field layout="Heading 2" style="Heading 2">exchange</Text-field></Title><Group><Input><Text-field layout="Normal" style="Text">exhange energy (LDA)</Text-field></Input></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">eqx1:=ex_lda=rho*ex_unif*Fx;</Text-field></Input><Output><Text-field layout="Maple Output" style="2D Output"><Equation>NiM+SSVlcXgxRzYiL0knZXhfbGRhR0YlKihJJHJob0dGJSIiIkkoZXhfdW5pZkdGJUYqSSNGeEdGJUYq</Equation></Text-field></Output></Group><Group><Input><Text-field layout="Normal" style="Text">Uniform gas exchange:</Text-field></Input></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">eqx2:=kf=(3*Pi^2*rho)^(1/3);
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eqx3:=ex_unif=-3/(4*Pi)*kf;</Text-field></Input><Output><Text-field layout="Maple Output" style="2D Output"><Equation>NiM+SSVlcXgyRzYiL0kja2ZHRiUqJiIiJCMiIiJGKSomSSNQaUdJKnByb3RlY3RlZEdGLiIiI0kkcmhvR0YlRitGKg==</Equation></Text-field><Text-field layout="Maple Output" style="2D Output"><Equation>NiM+SSVlcXgzRzYiL0koZXhfdW5pZkdGJSwkKiZJI1BpR0kqcHJvdGVjdGVkR0YrISIiSSNrZkdGJSIiIiMhIiQiIiU=</Equation></Text-field></Output></Group><Group><Input><Text-field layout="Normal" style="Text">The enhancement factor Fx is function of just p an z;</Text-field></Input></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">eqx4:=p=norm_drho^2/(4*(3*Pi^2)^(2/3)*rho^(8/3));
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eqx5:=s=norm_drho/(2*kf*rho);</Text-field></Input><Output><Text-field layout="Maple Output" style="2D Output"><Equation>NiM+SSVlcXg0RzYiL0kicEdGJSwkKipJKm5vcm1fZHJob0dGJSIiIyIiJCMiIiJGLCokSSNQaUdJKnByb3RlY3RlZEdGMUYrIyEiI0YsSSRyaG9HRiUjISIpRiwjRi4iIzc=</Equation></Text-field><Text-field layout="Maple Output" style="2D Output"><Equation>NiM+SSVlcXg1RzYiL0kic0dGJSwkKihJKm5vcm1fZHJob0dGJSIiIkkja2ZHRiUhIiJJJHJob0dGJUYtI0YrIiIj</Equation></Text-field></Output></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">evalb(simplify(subs(eqx4,eqx5,eqx2,s^2=p),symbolic));</Text-field></Input><Output><Text-field layout="Maple Output" style="2D Output"><Equation>NiNJJXRydWVHSSpwcm90ZWN0ZWRHRiQ=</Equation></Text-field></Output></Group><Group><Input><Text-field layout="Normal" style="Text">Fx can be written as</Text-field></Input></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">eqx6:=Fx=1+kappa-kappa/(1+mu*s^2/kappa);
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eqk1:=kappa=0.804;
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eqpbe8:=beta=0.066725;
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eqk2:=mu=beta*(Pi^2/3);</Text-field></Input><Output><Text-field layout="Maple Output" style="2D Output"><Equation>NiM+SSVlcXg2RzYiL0kjRnhHRiUsKCIiIkYpSSZrYXBwYUdGJUYpKiZGKkYpLCZGKUYpKihJI211R0YlRilJInNHRiUiIiNGKiEiIkYpRjFGMQ==</Equation></Text-field><Text-field layout="Maple Output" style="2D Output"><Equation>NiM+SSVlcWsxRzYiL0kma2FwcGFHRiUkIiQvKSEiJA==</Equation></Text-field></Output><Output><Text-field layout="Maple Output" style="2D Output"><Equation>NiM+SSdlcXBiZThHNiIvSSViZXRhR0YlJCImRG4nISIn</Equation></Text-field><Text-field layout="Maple Output" style="2D Output"><Equation>NiM+SSVlcWsyRzYiL0kjbXVHRiUsJComSSViZXRhR0YlIiIiSSNQaUdJKnByb3RlY3RlZEdGLSIiIyNGKyIiJA==</Equation></Text-field></Output></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">eqs_ex_lda := [eqk1,eqpbe8,eqk2,eqx2,eqx3,eqx5, eqx6, eqx1];</Text-field></Input><Output><Text-field layout="Maple Output" style="2D Output"><Equation>NiM+SStlcXNfZXhfbGRhRzYiNyovSSZrYXBwYUdGJSQiJC8pISIkL0klYmV0YUdGJSQiJkRuJyEiJy9JI211R0YlLCQqJkYtIiIiSSNQaUdJKnByb3RlY3RlZEdGNyIiIyNGNSIiJC9JI2tmR0YlKiZGOkY5KiZGNkY4SSRyaG9HRiVGNUY5L0koZXhfdW5pZkdGJSwkKiZGNiEiIkY8RjUjRisiIiUvSSJzR0YlLCQqKEkqbm9ybV9kcmhvR0YlRjVGPEZERj9GRCNGNUY4L0kjRnhHRiUsKEY1RjVGKEY1KiZGKEY1LCZGNUY1KihGMkY1RkhGOEYoRkRGNUZERkQvSSdleF9sZGFHRiUqKEY/RjVGQUY1Rk5GNQ==</Equation></Text-field></Output></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">unk(eqs_ex_lda);</Text-field></Input><Output><Text-field layout="Maple Output" style="2D Output"><Equation>NiM8JUkjUGlHSSpwcm90ZWN0ZWRHRiVJJHJob0c2Ikkqbm9ybV9kcmhvR0Yn</Equation></Text-field></Output></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">loc(eqs_ex_lda);</Text-field></Input><Output><Text-field layout="Maple Output" style="2D Output"><Equation>NiM8Kkkic0c2Ikkma2FwcGFHRiVJI0Z4R0YlSSNrZkdGJUknZXhfbGRhR0YlSShleF91bmlmR0YlSSNtdUdGJUklYmV0YUdGJQ==</Equation></Text-field></Output></Group></Section><Section collapsed="true"><Title><Text-field layout="Heading 2" style="Heading 2">correlation</Text-field></Title><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">eqc1:=ec=rho*epsilon_cGGA;</Text-field></Input><Output><Text-field layout="Maple Output" style="2D Output"><Equation>NiM+SSVlcWMxRzYiL0kjZWNHRiUqJkkkcmhvR0YlIiIiSS1lcHNpbG9uX2NHR0FHRiVGKg==</Equation></Text-field></Output></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">eqc3:=chi=(rhoa-rhob)/rho;</Text-field></Input><Output><Text-field layout="Maple Output" style="2D Output"><Equation>NiM+SSVlcWMzRzYiL0kkY2hpR0YlKiYsJkklcmhvYUdGJSIiIkklcmhvYkdGJSEiIkYrSSRyaG9HRiVGLQ==</Equation></Text-field></Output></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">eqc7:=rs=(3/(4*Pi*rho))^(1/3);</Text-field></Input><Output><Text-field layout="Maple Output" style="2D Output"><Equation>NiM+SSVlcWM3RzYiL0kjcnNHRiUsJCooIiIkIyIiIkYqIiIlIyIiI0YqKiZJI1BpR0kqcHJvdGVjdGVkR0YyISIiSSRyaG9HRiVGM0YrI0YsRi0=</Equation></Text-field></Output></Group><Group><Input><Text-field layout="Normal" style="Text">PBE (alias epsilon_cGGA) from Perdew, Burke, Ernzehof, PRL, vol 77, p 3865 (1996) It has some corrections and discussions.</Text-field></Input></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">eqpbe1:=t=norm_drho/(2*phi*k_s*rho);</Text-field></Input><Output><Text-field layout="Maple Output" style="2D Output"><Equation>NiM+SSdlcXBiZTFHNiIvSSJ0R0YlLCQqKkkqbm9ybV9kcmhvR0YlIiIiSSRwaGlHRiUhIiJJJGtfc0dGJUYtSSRyaG9HRiVGLSNGKyIiIw==</Equation></Text-field></Output></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">eqpbe2:=phi=((1+chi)^(2/3)+(1-chi)^(2/3))/2;</Text-field></Input><Output><Text-field layout="Maple Output" style="2D Output"><Equation>NiM+SSdlcXBiZTJHNiIvSSRwaGlHRiUsJiokLCYiIiJGK0kkY2hpR0YlRisjIiIjIiIkI0YrRi4qJCwmRitGK0YsISIiRi1GMA==</Equation></Text-field></Output></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">eqpbe3:=k_s=sqrt(4*k_f/(Pi*a_0));
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#eqpbe4:=a_0=h_bar^2 /(m*e^2);</Text-field></Input><Output><Text-field layout="Maple Output" style="2D Output"><Equation>NiM+SSdlcXBiZTNHNiIvSSRrX3NHRiUsJCokKiZJJGtfZkdGJSIiIkkjUGlHSSpwcm90ZWN0ZWRHRi4hIiIjRiwiIiNGMQ==</Equation></Text-field></Output></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">eqpbe5:=H=(e^2/a_0)*gamma_var*phi^3*ln(1+beta/gamma_var*t^2*(1+A*t^2)/(1+A*t^2+A^2*t^4));</Text-field></Input><Output><Text-field layout="Maple Output" style="2D Output"><Equation>NiM+SSdlcXBiZTVHNiIvSSJIR0YlKihJKmdhbW1hX3ZhckdGJSIiIkkkcGhpR0YlIiIkLUkjbG5HNiRJKnByb3RlY3RlZEdGMEkoX3N5c2xpYkdGJTYjLCZGKkYqKixJJWJldGFHRiVGKkYpISIiSSJ0R0YlIiIjLCZGKkYqKiZJIkFHRiVGKkY3RjhGKkYqLChGKkYqRjpGKiomRjtGOEY3IiIlRipGNkYqRio=</Equation></Text-field></Output></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">eqpbe6:=A=beta/gamma_var*(exp(-epsilon_c_unif/(gamma_var*phi^3*e^2/a_0))-1)^(-1);</Text-field></Input><Output><Text-field layout="Maple Output" style="2D Output"><Equation>NiM+SSdlcXBiZTZHNiIvSSJBR0YlKihJJWJldGFHRiUiIiJJKmdhbW1hX3ZhckdGJSEiIiwmLUkkZXhwRzYkSSpwcm90ZWN0ZWRHRjFJKF9zeXNsaWJHRiU2IywkKihJL2Vwc2lsb25fY191bmlmR0YlRipGK0YsSSRwaGlHRiUhIiRGLEYqRixGKkYs</Equation></Text-field></Output></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">eqpbe7:=epsilon_cGGA=epsilon_c_unif+H;</Text-field></Input><Output><Text-field layout="Maple Output" style="2D Output"><Equation>NiM+SSdlcXBiZTdHNiIvSS1lcHNpbG9uX2NHR0FHRiUsJkkvZXBzaWxvbl9jX3VuaWZHRiUiIiJJIkhHRiVGKg==</Equation></Text-field></Output></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">eqpbe9:=gamma_var=(1-ln(2))/Pi^2;evalf(rhs(eqpbe9));
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</Text-field></Input><Output><Text-field layout="Maple Output" style="2D Output"><Equation>NiM+SSdlcXBiZTlHNiIvSSpnYW1tYV92YXJHRiUqJiwmIiIiRiotSSNsbkc2JEkqcHJvdGVjdGVkR0YuSShfc3lzbGliR0YlNiMiIiMhIiJGKkkjUGlHRi4hIiM=</Equation></Text-field><Text-field layout="Maple Output" style="2D Output"><Equation>NiMkIisnM3AhNEohIzY=</Equation></Text-field></Output></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">eqpbe10:=k_f=(3*Pi^2*rho)^(1/3);</Text-field></Input><Output><Text-field layout="Maple Output" style="2D Output"><Equation>NiM+SShlcXBiZTEwRzYiL0kka19mR0YlKiYiIiQjIiIiRikqJkkjUGlHSSpwcm90ZWN0ZWRHRi4iIiNJJHJob0dGJUYrRio=</Equation></Text-field></Output></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">eqs_pbec1 := [eqpbe8,eqpbe9,eqc3, eqpbe2, eqpbe10, eqpbe3, eqpbe1, eqpbe6, eqpbe5,eqpbe7,eqc1];</Text-field></Input><Output><Text-field layout="Maple Output" style="2D Output"><Equation>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</Equation></Text-field></Output></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">unk(eqs_pbec1);</Text-field></Input><Output><Text-field layout="Maple Output" style="2D Output"><Equation>NiM8KEklcmhvYkc2IkklcmhvYUdGJUkvZXBzaWxvbl9jX3VuaWZHRiVJI1BpR0kqcHJvdGVjdGVkR0YpSSRyaG9HRiVJKm5vcm1fZHJob0dGJQ==</Equation></Text-field></Output></Group><Group><Input><Text-field layout="Normal" style="Text">Uniform gas correlation from Perdew,Wang; PRB vol 45, p 13244, 1992</Text-field></Input></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">equc1:=epsilon_c_unif=e_c_u_0+alpha_c*f/f_ii_0*(1-chi^4)+(e_c_u_1-e_c_u_0)*f*chi^4;</Text-field></Input><Output><Text-field layout="Maple Output" style="2D Output"><Equation>NiM+SSZlcXVjMUc2Ii9JL2Vwc2lsb25fY191bmlmR0YlLChJKGVfY191XzBHRiUiIiIqKkkoYWxwaGFfY0dGJUYqSSJmR0YlRipJJ2ZfaWlfMEdGJSEiIiwmRipGKiokSSRjaGlHRiUiIiVGL0YqRioqKCwmSShlX2NfdV8xR0YlRipGKUYvRipGLUYqRjJGM0Yq</Equation></Text-field></Output></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">equc2:=f=((1+chi)^(4/3)+(1-chi)^(4/3)-2)/(2^(4/3)-2);</Text-field></Input><Output><Text-field layout="Maple Output" style="2D Output"><Equation>NiM+SSZlcXVjMkc2Ii9JImZHRiUqJiwoKiQsJiIiIkYsSSRjaGlHRiVGLCMiIiUiIiRGLCokLCZGLEYsRi0hIiJGLkYsISIjRixGLCwmKiQiIiMjRixGMEY3RjRGLEYz</Equation></Text-field></Output></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">equc3:=f_ii_0=subs(chi=0,diff(subs(equc2,f),chi,chi));
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evalf(rhs(equc3));</Text-field></Input><Output><Text-field layout="Maple Output" style="2D Output"><Equation>NiM+SSZlcXVjM0c2Ii9JJ2ZfaWlfMEdGJSwkKiQsJiokIiIjIyIiIiIiJEYsISIjRi4hIiIjIiIpIiIq</Equation></Text-field></Output><Output><Text-field layout="Maple Output" style="2D Output"><Equation>NiMkIitMNCMqNDwhIio=</Equation></Text-field></Output></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">G_uc:=-2*A*(1+alpha_1*rs)*ln(1+1/(2*A*(beta_1*rs^(1/2)+beta_2*rs+beta_3*rs^(3/2)+beta_4*rs^(p+1))));</Text-field></Input><Output><Text-field layout="Maple Output" style="2D Output"><Equation>NiM+SSVHX3VjRzYiLCQqKEkiQUdGJSIiIiwmRilGKSomSShhbHBoYV8xR0YlRilJI3JzR0YlRilGKUYpLUkjbG5HNiRJKnByb3RlY3RlZEdGMUkoX3N5c2xpYkdGJTYjLCZGKUYpKiZGKCEiIiwqKiZJJ2JldGFfMUdGJUYpRi0jRikiIiNGKSomSSdiZXRhXzJHRiVGKUYtRilGKSomSSdiZXRhXzNHRiVGKUYtIyIiJEY7RikqJkknYmV0YV80R0YlRikpRi0sJkkicEdGJUYpRilGKUYpRilGNkY6RikhIiM=</Equation></Text-field></Output></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">equc4c:=[p_1=1.0,A_1=0.031091,alpha_1_1=0.21370,beta_1_1=7.5957,beta_2_1=3.5876,beta_3_1=1.6382,
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beta_4_1=0.49294];
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equc4:={p=p_1,A=A_1,alpha_1=alpha_1_1,beta_1=beta_1_1,beta_2=beta_2_1,beta_3=beta_3_1,
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beta_4=beta_4_1};
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equc5:=e_c_u_0=subs(equc4,G_uc);</Text-field></Input><Output><Text-field layout="Maple Output" style="2D Output"><Equation>NiM+SSdlcXVjNGNHNiI3KS9JJHBfMUdGJSQiIzUhIiIvSSRBXzFHRiUkIiYiNEohIicvSSphbHBoYV8xXzFHRiUkIiZxOCMhIiYvSSliZXRhXzFfMUdGJSQiJmRmKCEiJS9JKWJldGFfMl8xR0YlJCImd2UkRjovSSliZXRhXzNfMUdGJSQiJiNRO0Y6L0kpYmV0YV80XzFHRiUkIiYlSFxGNQ==</Equation></Text-field><Text-field layout="Maple Output" style="2D Output"><Equation>NiM+SSZlcXVjNEc2IjwpL0knYmV0YV80R0YlSSliZXRhXzRfMUdGJS9JIkFHRiVJJEFfMUdGJS9JKGFscGhhXzFHRiVJKmFscGhhXzFfMUdGJS9JJ2JldGFfMkdGJUkpYmV0YV8yXzFHRiUvSSdiZXRhXzNHRiVJKWJldGFfM18xR0YlL0knYmV0YV8xR0YlSSliZXRhXzFfMUdGJS9JInBHRiVJJHBfMUdGJQ==</Equation></Text-field></Output><Output><Text-field layout="Maple Output" style="2D Output"><Equation>NiM+SSZlcXVjNUc2Ii9JKGVfY191XzBHRiUsJCooSSRBXzFHRiUiIiIsJkYrRisqJkkqYWxwaGFfMV8xR0YlRitJI3JzR0YlRitGK0YrLUkjbG5HNiRJKnByb3RlY3RlZEdGM0koX3N5c2xpYkdGJTYjLCZGK0YrKiZGKiEiIiwqKiZJKWJldGFfMV8xR0YlRitGLyNGKyIiI0YrKiZJKWJldGFfMl8xR0YlRitGL0YrRisqJkkpYmV0YV8zXzFHRiVGK0YvIyIiJEY9RisqJkkpYmV0YV80XzFHRiVGKylGLywmSSRwXzFHRiVGK0YrRitGK0YrRjhGPEYrISIj</Equation></Text-field></Output></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">equc6c:=[p_2=1.0,A_2=0.015545,alpha_1_2=0.20548,beta_1_2=14.1189,beta_2_2=6.1977,beta_3_2=3.3662,
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beta_4_2=0.62517];
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equc6:={p=p_2,A=A_2,alpha_1=alpha_1_2,beta_1=beta_1_2,beta_2=beta_2_2,beta_3=beta_3_2,
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beta_4=beta_4_2};
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equc7:=e_c_u_1=subs(equc6,G_uc);</Text-field></Input><Output><Text-field layout="Maple Output" style="2D Output"><Equation>NiM+SSdlcXVjNmNHNiI3KS9JJHBfMkdGJSQiIzUhIiIvSSRBXzJHRiUkIiZYYiIhIicvSSphbHBoYV8xXzJHRiUkIiZbMCMhIiYvSSliZXRhXzFfMkdGJSQiJyo9VCIhIiUvSSliZXRhXzJfMkdGJSQiJng+J0Y6L0kpYmV0YV8zXzJHRiUkIiZpTyRGOi9JKWJldGFfNF8yR0YlJCImPEQnRjU=</Equation></Text-field><Text-field layout="Maple Output" style="2D Output"><Equation>NiM+SSZlcXVjNkc2IjwpL0kiQUdGJUkkQV8yR0YlL0knYmV0YV8xR0YlSSliZXRhXzFfMkdGJS9JKGFscGhhXzFHRiVJKmFscGhhXzFfMkdGJS9JInBHRiVJJHBfMkdGJS9JJ2JldGFfMkdGJUkpYmV0YV8yXzJHRiUvSSdiZXRhXzRHRiVJKWJldGFfNF8yR0YlL0knYmV0YV8zR0YlSSliZXRhXzNfMkdGJQ==</Equation></Text-field></Output><Output><Text-field layout="Maple Output" style="2D Output"><Equation>NiM+SSZlcXVjN0c2Ii9JKGVfY191XzFHRiUsJCooSSRBXzJHRiUiIiIsJkYrRisqJkkqYWxwaGFfMV8yR0YlRitJI3JzR0YlRitGK0YrLUkjbG5HNiRJKnByb3RlY3RlZEdGM0koX3N5c2xpYkdGJTYjLCZGK0YrKiZGKiEiIiwqKiZJKWJldGFfMV8yR0YlRitGLyNGKyIiI0YrKiZJKWJldGFfMl8yR0YlRitGL0YrRisqJkkpYmV0YV8zXzJHRiVGK0YvIyIiJEY9RisqJkkpYmV0YV80XzJHRiVGKylGLywmSSRwXzJHRiVGK0YrRitGK0YrRjhGPEYrISIj</Equation></Text-field></Output></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">equc8c:=[p_3=1.0,A_3=0.016887,alpha_1_3=0.11125,beta_1_3=10.357,beta_2_3=3.6231,beta_3_3=0.88026,
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beta_4_3=0.49671];
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equc8:={p=p_3,A=A_3,alpha_1=alpha_1_3,beta_1=beta_1_3,beta_2=beta_2_3,beta_3=beta_3_3,
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beta_4=beta_4_3};
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equc9:=alpha_c=-subs(equc8,G_uc);</Text-field></Input><Output><Text-field layout="Maple Output" style="2D Output"><Equation>NiM+SSdlcXVjOGNHNiI3KS9JJHBfM0dGJSQiIzUhIiIvSSRBXzNHRiUkIiYoKW8iISInL0kqYWxwaGFfMV8zR0YlJCImRDYiISImL0kpYmV0YV8xXzNHRiUkIiZkLiIhIiQvSSliZXRhXzJfM0dGJSQiJkppJCEiJS9JKWJldGFfM18zR0YlJCImRSEpKUY1L0kpYmV0YV80XzNHRiUkIiZyJ1xGNQ==</Equation></Text-field><Text-field layout="Maple Output" style="2D Output"><Equation>NiM+SSZlcXVjOEc2IjwpL0kicEdGJUkkcF8zR0YlL0kiQUdGJUkkQV8zR0YlL0knYmV0YV8xR0YlSSliZXRhXzFfM0dGJS9JJ2JldGFfMkdGJUkpYmV0YV8yXzNHRiUvSSdiZXRhXzNHRiVJKWJldGFfM18zR0YlL0knYmV0YV80R0YlSSliZXRhXzRfM0dGJS9JKGFscGhhXzFHRiVJKmFscGhhXzFfM0dGJQ==</Equation></Text-field></Output><Output><Text-field layout="Maple Output" style="2D Output"><Equation>NiM+SSZlcXVjOUc2Ii9JKGFscGhhX2NHRiUsJCooSSRBXzNHRiUiIiIsJkYrRisqJkkqYWxwaGFfMV8zR0YlRitJI3JzR0YlRitGK0YrLUkjbG5HNiRJKnByb3RlY3RlZEdGM0koX3N5c2xpYkdGJTYjLCZGK0YrKiZGKiEiIiwqKiZJKWJldGFfMV8zR0YlRitGLyNGKyIiI0YrKiZJKWJldGFfMl8zR0YlRitGL0YrRisqJkkpYmV0YV8zXzNHRiVGK0YvIyIiJEY9RisqJkkpYmV0YV80XzNHRiVGKylGLywmSSRwXzNHRiVGK0YrRitGK0YrRjhGPEYrRj0=</Equation></Text-field></Output></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">eqs_e_c_unif:=[op(equc4c),op(equc6c),op(equc8c),eqc3,eqc7,equc5,equc7,equc9,equc3,equc2,equc1];</Text-field></Input><Output><Text-field layout="Maple Output" style="2D Output"><Equation>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</Equation></Text-field></Output></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">unk(eqs_e_c_unif);</Text-field></Input><Output><Text-field layout="Maple Output" style="2D Output"><Equation>NiM8JkklcmhvYkc2IkklcmhvYUdGJUkjUGlHSSpwcm90ZWN0ZWRHRihJJHJob0dGJQ==</Equation></Text-field></Output></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">loc(eqs_e_c_unif)intersect loc(eqs_pbec1);</Text-field></Input><Output><Text-field layout="Maple Output" style="2D Output"><Equation>NiM8I0kkY2hpRzYi</Equation></Text-field></Output></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">eqs_pbec1_ind:=subsop(3=NULL,eqs_pbec1):
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loc(eqs_e_c_unif)intersect loc(eqs_pbec1_ind);</Text-field></Input><Output><Text-field layout="Maple Output" style="2D Output"><Equation>NiM8Ig==</Equation></Text-field></Output></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">eqs_pbec2:=[eqs_e_c_unif[i]$i=1..nops(eqs_e_c_unif),eqs_pbec1_ind[i]$i=1..nops(eqs_pbec1_ind)];</Text-field></Input><Output><Text-field layout="Maple Output" style="2D Output"><Equation>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</Equation></Text-field></Output></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">unk(eqs_pbec2);</Text-field></Input><Output><Text-field layout="Maple Output" style="2D Output"><Equation>NiM8J0klcmhvYkc2IkklcmhvYUdGJUkjUGlHSSpwcm90ZWN0ZWRHRihJJHJob0dGJUkqbm9ybV9kcmhvR0Yl</Equation></Text-field></Output></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">loc(eqs_pbec2);</Text-field></Input><Output><Text-field layout="Maple Output" style="2D Output"><Equation>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</Equation></Text-field></Output></Group></Section><Section><Title><Text-field layout="Heading 2" style="Heading 2">costanti</Text-field></Title><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">costanti:=[kappa, beta,mu,gamma_var,
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p_1,A_1,alpha_1_1,beta_1_1,beta_2_1,beta_3_1,beta_4_1,
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p_2,A_2,alpha_1_2,beta_1_2,beta_2_2,beta_3_2,beta_4_2,
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p_3,A_3,alpha_1_3,beta_1_3,beta_2_3,beta_3_3,beta_4_3,scale_ec,scale_ex]:</Text-field></Input><Output><Text-field layout="Maple Output" style="2D Output"><Equation style="2D Output">NiM+SSljb3N0YW50aUc2Ijc9SSZrYXBwYUdGJUklYmV0YUdGJUkjbXVHRiVJKmdhbW1hX3ZhckdGJUkkcF8xR0YlSSRBXzFHRiVJKmFscGhhXzFfMUdGJUkpYmV0YV8xXzFHRiVJKWJldGFfMl8xR0YlSSliZXRhXzNfMUdGJUkpYmV0YV80XzFHRiVJJHBfMkdGJUkkQV8yR0YlSSphbHBoYV8xXzJHRiVJKWJldGFfMV8yR0YlSSliZXRhXzJfMkdGJUkpYmV0YV8zXzJHRiVJKWJldGFfNF8yR0YlSSRwXzNHRiVJJEFfM0dGJUkqYWxwaGFfMV8zR0YlSSliZXRhXzFfM0dGJUkpYmV0YV8yXzNHRiVJKWJldGFfM18zR0YlSSliZXRhXzRfM0dGJUkpc2NhbGVfZWNHRiVJKXNjYWxlX2V4R0Yl</Equation></Text-field></Output></Group><Section><Title><Text-field layout="Heading 3" style="Heading 3">Fortran</Text-field></Title><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">fCostanti(costanti,eqs_lsd);</Text-field></Input><Output><Text-field layout="Maple Output" style="2D Output"><Equation style="2D Output">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</Equation></Text-field></Output><Output><Text-field layout="Normal" style="Line Printed Output"> doubleprecision function pr ()
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doubleprecision kappa
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doubleprecision beta
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doubleprecision mu
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doubleprecision gamma_var
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doubleprecision p_1
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doubleprecision A_1
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doubleprecision alpha_1_1
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doubleprecision beta_1_1
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doubleprecision beta_2_1
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doubleprecision beta_3_1
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doubleprecision beta_4_1
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doubleprecision p_2
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doubleprecision A_2
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doubleprecision alpha_1_2
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doubleprecision beta_1_2
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doubleprecision beta_2_2
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doubleprecision beta_3_2
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doubleprecision beta_4_2
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doubleprecision p_3
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doubleprecision A_3
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doubleprecision alpha_1_3
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doubleprecision beta_1_3
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doubleprecision beta_2_3
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doubleprecision beta_3_3
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doubleprecision beta_4_3
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doubleprecision scale_ec
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doubleprecision scale_ex
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common kappa, beta, mu, gamma_var, p_1, A_1, alpha_1_1, beta_1_1
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#, beta_2_1, beta_3_1, beta_4_1, p_2, A_2, alpha_1_2, beta_1_2, bet
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#a_2_2, beta_3_2, beta_4_2, p_3, A_3, alpha_1_3, beta_1_3, beta_2_3
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#, beta_3_3, beta_4_3, scale_ec, scale_ex
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kappa = 0.804D0
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beta = 0.66725D-1
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mu = beta * 0.3141592654D1 ** 2 / 0.3D1
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gamma_var = (0.1D1 - log(0.2D1)) / 0.3141592654D1 ** 2
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p_1 = 0.10D1
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A_1 = 0.31091D-1
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alpha_1_1 = 0.21370D0
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beta_1_1 = 0.75957D1
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beta_2_1 = 0.35876D1
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beta_3_1 = 0.16382D1
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beta_4_1 = 0.49294D0
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p_2 = 0.10D1
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A_2 = 0.15545D-1
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alpha_1_2 = 0.20548D0
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beta_1_2 = 0.141189D2
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beta_2_2 = 0.61977D1
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beta_3_2 = 0.33662D1
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beta_4_2 = 0.62517D0
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p_3 = 0.10D1
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A_3 = 0.16887D-1
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alpha_1_3 = 0.11125D0
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beta_1_3 = 0.10357D2
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beta_2_3 = 0.36231D1
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beta_3_3 = 0.88026D0
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beta_4_3 = 0.49671D0
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scale_ec = 0.1D1
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scale_ex = 0.1D1
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pr = scale_ex
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return
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end</Text-field></Output></Group></Section><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input"/></Input></Group></Section><Section collapsed="true"><Title><Text-field layout="Heading 2" style="Heading 2">Tests</Text-field></Title><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">loc(eqs_pbec2)intersect loc(eqs_ex_lda);</Text-field></Input><Output><Text-field layout="Maple Output" style="2D Output"><Equation>NiM8I0klYmV0YUc2Ig==</Equation></Text-field></Output></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">sameNameSameDef(eqs_pbec2,eqs_ex_lda);</Text-field></Input><Output><Text-field layout="Error" style="Error">Error, (in sameNameSameDef) invalid input: subs received [{alpha_1_1 = .21370, beta_1_1 = 7.5957, beta_2_1 = 3.5876, p_1 = 1.0, A_1 = 0.31091e-1, beta_3_1 = 1.6382, beta_4_1 = .49294}, {p_2 = 1.0, A_2 = 0.15545e-1, alpha_1_2 = .20548, beta_1_2 = 14.1189, beta_3_2 = 3.3662, beta_4_2 = .62517, beta_2_2 = 6.1977}, {beta_2_3 = 3.6231, beta_3_3 = .88026, A_3 = 0.16887e-1, p_3 = 1.0, beta_4_3 = .49671, alpha_1_3 = .11125, beta_1_3 = 10.357}, chi = (rhoa-rhob)/rho, rs = 1/4*3^(1/3)*4^(2/3)*(1/(Pi*rho))^(1/3), e_c_u_0 = -2*A_1*(1+alpha_1_1*rs)*ln(1+1/2/(A_1*(beta_1_1*rs^(1/2)+beta_2_1*rs+beta_3_1*rs^(3/2)+beta_4_1*rs^(p_1+1)))), e_c_u_1 = -2*A_2*(1+alpha_1_2*rs)*ln(1+1/2/(A_2*(beta_1_2*rs^(1/2)+beta_2_2*rs+beta_3_2*rs^(3/2)+beta_4_2*rs^(p_2+1)))), alpha_c = 2*A_3*(1+alpha_1_3*rs)*ln(1+1/2/(A_3*(beta_1_3*rs^(1/2)+beta_2_3*rs+beta_3_3*rs^(3/2)+beta_4_3*rs^(p_3+1)))), f_ii_0 = 8/9/(2*2^(1/3)-2), f = ((1+chi)^(4/3)+(1-chi)^(4/3)-2)/(2*2^(1/3)-2), epsilon_c_unif = e_c_u_0+alpha_c*f*(1-chi^4)/f_ii_0+(e_c_u_1-e_c_u_0)*f*chi^4, beta = 0.66725e-1, gamma_var = (1-ln(2))/Pi^2, phi = 1/2*(1+chi)^(2/3)+1/2*(1-chi)^(2/3), k_f = 3^(1/3)*(Pi^2*rho)^(1/3), k_s = 2*(k_f/Pi)^(1/2), t = 1/2*norm_drho/(phi*k_s*rho), A = beta/(gamma_var*(exp(-epsilon_c_unif/(gamma_var*phi^3))-1)), H = gamma_var*phi^3*ln(1+beta*t^2*(1+A*t^2)/(gamma_var*(1+A*t^2+A^2*t^4))), epsilon_cGGA = epsilon_c_unif+H, ec = rho*epsilon_cGGA], which is not valid for its 1st argument</Text-field></Output></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">eqs_fxc:=combineEqs([eqs_pbec2,eqs_ex_lda,[Fxc=Fx+epsilon_cGGA/ex_unif]]):
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unk(eqs_fxc);</Text-field></Input><Output><Text-field layout="Maple Output" style="2D Output"><Equation style="2D Output">NiM8J0kjUGlHSSpwcm90ZWN0ZWRHRiVJJHJob0c2IkklcmhvYUdGJ0klcmhvYkdGJ0kqbm9ybV9kcmhvR0Yn</Equation></Text-field></Output></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">eqs_fxc1:=subsop(indiceDef(s,eqs_fxc)=NULL,indiceDef(chi,eqs_fxc)=NULL,indiceDef(rs,eqs_fxc)=NULL,eqs_fxc):
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unk(eqs_fxc1);</Text-field></Input><Output><Text-field layout="Maple Output" style="2D Output"><Equation style="2D Output">NiM8KEkjUGlHSSpwcm90ZWN0ZWRHRiVJInNHNiJJJHJob0dGJ0kqbm9ybV9kcmhvR0YnSSRjaGlHRidJI3JzR0Yn</Equation></Text-field></Output></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">v_rho:=solve(getDef(rs,eqs_fxc),rho);</Text-field></Input><Output><Text-field layout="Maple Output" style="2D Output"><Equation style="2D Output">NiM+SSZ2X3Job0c2IiwkKiZJI3JzR0YlISIkSSNQaUdJKnByb3RlY3RlZEdGKyEiIiMiIiQiIiU=</Equation></Text-field></Output></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">getDef(chi,eqs_fxc);</Text-field></Input><Output><Text-field layout="Maple Output" style="2D Output"><Equation style="2D Output">NiMvSSRjaGlHNiIqJiwmSSVyaG9hR0YlIiIiSSVyaG9iR0YlISIiRilJJHJob0dGJUYr</Equation></Text-field></Output></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">v_ndrho:=solve(subs(getDef(kf,eqs_fxc),getDef(s,eqs_fxc)),norm_drho);</Text-field></Input><Output><Text-field layout="Maple Output" style="2D Output"><Equation style="2D Output">NiM+SSh2X25kcmhvRzYiLCQqKkkic0dGJSIiIiomSSNQaUdJKnByb3RlY3RlZEdGLCIiI0kkcmhvR0YlRikjRikiIiRGLkYpRjBGL0Yt</Equation></Text-field></Output></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">eqs_fxc2:=[rho=v_rho,norm_drho=v_ndrho,chi=0,op(eqs_fxc1)]:
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unk(eqs_fxc2);</Text-field></Input><Output><Text-field layout="Maple Output" style="2D Output"><Equation style="2D Output">NiM8JUkjUGlHSSpwcm90ZWN0ZWRHRiVJInNHNiJJI3JzR0Yn</Equation></Text-field></Output></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">cs_eqs_fxc:=CompSeq(locals=loc(eqs_fxc2),
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globals=[Pi],params=[rs,s],eqs_fxc2):
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r_eqs_fxc:=convert(cs_eqs_fxc,procedure):</Text-field></Input></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">plot([r_eqs_fxc(0.,s),r_eqs_fxc(2.,s),r_eqs_fxc(10.,s),r_eqs_fxc(1.0e4,s),r_eqs_fxc(1.0e3,s)],s=0..3,y=1..2);</Text-field></Input><Output><Text-field layout="Maple Plot"><Plot height="400" plot-scale="1.0" plot-xtrans="0.0" plot-ytrans="0.0" type="two-dimensional" width="400">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</Plot></Text-field></Output></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">eqs_fxc_p:=combineEqs([eqs_pbec2,subs(rho=2*rho,norm_drho=2*norm_drho,eqs_ex_lda),
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[Fxc=Fx*2^(1/3)+2^(1/3)*epsilon_cGGA/ex_unif]]):
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unk(eqs_fxc_p);</Text-field></Input><Output><Text-field layout="Maple Output" style="2D Output"><Equation style="2D Output">NiM8J0kjUGlHSSpwcm90ZWN0ZWRHRiVJJHJob0c2IkklcmhvYUdGJ0klcmhvYkdGJ0kqbm9ybV9kcmhvR0Yn</Equation></Text-field></Output></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">eqs_fxc1_p:=subsop(indiceDef(s,eqs_fxc_p)=NULL,indiceDef(chi,eqs_fxc_p)=NULL,indiceDef(rs,eqs_fxc_p)=NULL,eqs_fxc_p):
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unk(eqs_fxc1_p);</Text-field></Input><Output><Text-field layout="Maple Output" style="2D Output"><Equation style="2D Output">NiM8KEkjUGlHSSpwcm90ZWN0ZWRHRiVJInNHNiJJJHJob0dGJ0kqbm9ybV9kcmhvR0YnSSRjaGlHRidJI3JzR0Yn</Equation></Text-field></Output></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">v_rho_p:=solve(getDef(rs,eqs_fxc_p),rho);</Text-field></Input><Output><Text-field layout="Maple Output" style="2D Output"><Equation style="2D Output">NiM+SSh2X3Job19wRzYiLCQqJkkjcnNHRiUhIiRJI1BpR0kqcHJvdGVjdGVkR0YrISIiIyIiJCIiJQ==</Equation></Text-field></Output></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">getDef(chi,eqs_fxc_p);</Text-field></Input><Output><Text-field layout="Maple Output" style="2D Output"><Equation style="2D Output">NiMvSSRjaGlHNiIqJiwmSSVyaG9hR0YlIiIiSSVyaG9iR0YlISIiRilJJHJob0dGJUYr</Equation></Text-field></Output></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">v_ndrho_p:=solve(subs(getDef(kf,eqs_fxc_p),getDef(s,eqs_fxc_p)),norm_drho);</Text-field></Input><Output><Text-field layout="Maple Output" style="2D Output"><Equation style="2D Output">NiM+SSp2X25kcmhvX3BHNiIsJCosSSJzR0YlIiIiKiZJI1BpR0kqcHJvdGVjdGVkR0YsIiIjSSRyaG9HRiVGKSNGKSIiJEYuRilGMEYvRi1GL0Yt</Equation></Text-field></Output></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">eqs_fxc2_p:=[rho=v_rho_p,norm_drho=v_ndrho_p,chi=1,op(eqs_fxc1_p)]:
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unk(eqs_fxc2_p);</Text-field></Input><Output><Text-field layout="Maple Output" style="2D Output"><Equation style="2D Output">NiM8JUkjUGlHSSpwcm90ZWN0ZWRHRiVJInNHNiJJI3JzR0Yn</Equation></Text-field></Output></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">cs_eqs_fxc_p:=CompSeq(locals=loc(eqs_fxc2_p),
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globals=[Pi],params=[rs,s],eqs_fxc2_p):
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r_eqs_fxc_p:=convert(cs_eqs_fxc_p,procedure):</Text-field></Input></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">plot([r_eqs_fxc_p(0.,s),r_eqs_fxc_p(2.,s),r_eqs_fxc_p(10.,s),r_eqs_fxc_p(10000.,s),r_eqs_fxc_p(200000.,s)],
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s=0..3,y=1..2);</Text-field></Input><Output><Text-field layout="Maple Plot"><Plot height="400" plot-scale="1.0" plot-xtrans="0.0" plot-ytrans="0.0" type="two-dimensional" width="400">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</Plot></Text-field></Output></Group><Section><Title><Text-field layout="Heading 3" style="Heading 3">Compare with old QS PBE</Text-field></Title><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">eqsPbex:=[kappa = 0.804,cx_vwn_e=-3/4*(3/Pi)^(1/3)
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,f13=1/3
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,r2kf = 1/2*(3*Pi^2)^(-f13)
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,mu = 0.2195149727645171
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,rho13 = rho^f13
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,rho43 = rho13*rho
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,s = r2kf*drho/rho43
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,p = 1/(1 + mu*s*s/kappa)
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,fx = 1 + kappa*(1 - p)
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,dfx = 2*mu*s*p*p
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,ex = cx_vwn_e*rho43*fx
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,vx = cx_vwn_v*rho13*(fx - s*dfx)
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,vxg = cx_vwn_e*r2kf*dfx/drho,energy=ex];</Text-field></Input><Output><Text-field layout="Maple Output" style="2D Output"><Equation style="2D Output">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</Equation></Text-field></Output></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">unk(eqsPbex);</Text-field></Input><Output><Text-field layout="Maple Output" style="2D Output"><Equation style="2D Output">NiM8JUkjUGlHSSpwcm90ZWN0ZWRHRiVJJWRyaG9HNiJJJHJob0dGJw==</Equation></Text-field></Output></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">cs_eqsPbex:=CompSeq(locals=convert(loc(eqsPbex),list),
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globals=[Pi],params=[rho,drho],eqsPbex):
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r_eqsPbex:=convert(cs_eqsPbex,procedure):</Text-field></Input></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">eqs_ex_lda;</Text-field></Input><Output><Text-field layout="Maple Output" style="2D Output"><Equation style="2D Output">NiM3Ki9JJmthcHBhRzYiJCIkLykhIiQvSSViZXRhR0YmJCImRG4nISInL0kjbXVHRiYsJComRisiIiJJI1BpR0kqcHJvdGVjdGVkR0Y1IiIjI0YzIiIkL0kja2ZHRiYqJkY4RjcqJkY0RjZJJHJob0dGJkYzRjcvSShleF91bmlmR0YmLCQqJkY0ISIiRjpGMyNGKSIiJS9JInNHRiYsJCooSSpub3JtX2RyaG9HRiZGM0Y6RkJGPUZCI0YzRjYvSSNGeEdGJiwoRjNGM0YlRjMqJkYlRjMsJkYzRjMqKEYwRjNGRkY2RiVGQkYzRkJGQi9JJ2V4X2xkYUdGJiooRj1GM0Y/RjNGTEYz</Equation></Text-field></Output></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">cs_eqsPbex2:=CompSeq(locals=convert(loc(eqs_ex_lda),list),
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globals=[Pi],params=[rho,norm_drho],eqs_ex_lda):
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r_eqsPbex2:=convert(cs_eqsPbex2,procedure):</Text-field></Input></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">contourplot3d(r_eqsPbex-r_eqsPbex2,0.1..1,-1..1);</Text-field></Input><Output><Text-field layout="Maple Plot"><Plot height="400" plot-scale="1.0" plot-xtrans="0.0" plot-ytrans="0.0" type="three-dimensional" width="400">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</Plot></Text-field></Output></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">mu=sost([op(eqs_ex_lda),my_m=mu]),mu2=sost([op(eqsPbex),my_m=mu]);</Text-field></Input><Output><Text-field layout="Maple Output" style="2D Output"><Equation style="2D Output">NiQvSSNtdUc2IiwkKiRJI1BpR0kqcHJvdGVjdGVkR0YpIiIjJCIrbm07Q0EhIzYvSSRtdTJHRiUkIjFyXmtGKFxePiMhIzs=</Equation></Text-field></Output></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">evalf(rhs(%[1])-rhs(%[2])),evalf((rhs(%[1])-rhs(%[2]))/rhs(%[1]));</Text-field></Input><Output><Text-field layout="Maple Output" style="2D Output"><Equation style="2D Output">NiQkIiYmeTkhIzUkIisqSGVfdCchIzo=</Equation></Text-field></Output></Group><Group><Input><Text-field layout="Normal" style="Text">This uses VWN correlation instead of the (correct) PW92</Text-field></Input></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">eqsPbec:=[f43=4/3
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,f13=1/3
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,f76=7/6
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,r2ks=1/4*(3/Pi)^(-1/6)
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,ap = 0.0621814
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,bp = 3.72744
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,cp = 12.9352
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,xp = -0.10498
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,beta_pbe=0.66725e-1
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,gamma_pbe=(1-log(2))/Pi^2
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,rsfac = (f43*Pi)^(-f13)
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,x2 = rsfac*rho^(-f13)
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,x = sqrt(x2)
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,xp2 = xp*xp
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,xmxp = x - xp
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,xmxp2 = xmxp*xmxp
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,pp = x*x + bp*x + cp
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,qp = sqrt(4*cp - bp*bp)
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, ecp = 1/2*ap*(log(x2/xmxp2) - ((xp2 + cp)*log(pp/xmxp2) + 2*bp*(xp2 - cp)*arctan(qp/(2*x + bp))/qp)/ (xp2 + bp*xp + cp))
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,decp = 1/2*f13*ap*((1 + bp/xmxp)*x2/pp - 1)
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,ec = ecp*rho
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,vc = ecp + decp
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,e_var = ec/rho
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,rhom76 = rho^(-f76)
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,t = r2ks*drho*rhom76
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,t2 = t*t
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,expe = exp(-e_var/gamma_pbe)
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,bog = beta_pbe/gamma_pbe
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,a = bog/(expe - 1)
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,at2 = a*t2
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,q = 1/(1 + at2 + at2*at2)
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,q2 = q*q
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,p = 1 + bog*t2*(1 + at2)*q
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,h = gamma_pbe*log(p)
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,dpdt = 2*bog*t*(1 + 2*at2)*q2
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,dtdr = -f76*t/rho
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,dpda = -bog*at2*t2*t2*(2 + at2)*q2
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,dade = a*a*expe/beta_pbe
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,dedr = (vc - e_var)/rho
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,dpdr = dpdt*dtdr + dpda*dade*dedr
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,dhdr = gamma_pbe*dpdr/p
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,dtddr = t/drho^2
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,dhddr = gamma_pbe*dpdt*dtddr/p
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,ec = ec + rho*h
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,vc = vc + h + rho*dhdr
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,vcg = rho*dhddr,energy=ec];</Text-field></Input><Output><Text-field layout="Maple Output" style="2D Output"><Equation style="2D Output">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</Equation></Text-field></Output></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">cs_eqsPbec:=CompSeq(locals=convert(loc(eqsPbec),list),
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globals=[Pi],params=[rho,drho],eqsPbec):
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r_eqsPbec:=convert(cs_eqsPbec,procedure):</Text-field></Input></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">unk(eqs_pbec2);</Text-field></Input><Output><Text-field layout="Maple Output" style="2D Output"><Equation style="2D Output">NiM8J0kjUGlHSSpwcm90ZWN0ZWRHRiVJKm5vcm1fZHJob0c2IkklcmhvYUdGJ0klcmhvYkdGJ0kkcmhvR0Yn</Equation></Text-field></Output></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">eqs_pbec2_lda:=[rhoa=rho/2,rhob=rho/2,op(eqs_pbec2)];</Text-field></Input><Output><Text-field layout="Maple Output" style="2D Output"><Equation style="2D Output">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</Equation></Text-field></Output></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">cs_eqsPbec2:=CompSeq(locals=convert(loc(eqs_pbec2_lda),list),
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gobals=[Pi],params=[rho,norm_drho],eqs_pbec2_lda):
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r_eqsPbec2:=convert(cs_eqsPbec2,procedure):</Text-field></Input></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">with(plots);</Text-field></Input><Output><Text-field layout="Warning" style="Warning">Warning, the name changecoords has been redefined</Text-field></Output><Output><Text-field layout="Maple Output" style="2D Output"><Equation style="2D Output">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</Equation></Text-field></Output></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">convert(proc(r) local t; global Pi; t:=Pi*r^2; end proc,CompSeq);</Text-field></Input><Output><Text-field layout="Maple Output" style="2D Output"><Equation style="2D Output">NiMtSShDb21wU2VxRzYiNiYvSSdsb2NhbHNHRiU3I0kidEdGJS9JKGdsb2JhbHNHRiU3I0kjUGlHSSpwcm90ZWN0ZWRHRi8vSSdwYXJhbXNHRiU3I0kickdGJTcjL0YqKiZGLiIiIkYzIiIj</Equation></Text-field></Output></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">convert(CompSeq(locals=[t],params=[r],[t=r^2]),procedure);</Text-field></Input><Output><Text-field layout="Maple Output" style="2D Output"><Equation style="2D Output">NiNmKjYjSSJyRzYiNiNJInRHRiZGJkYmPjgkKiQ5JCIiI0YmRiZGJg==</Equation></Text-field></Output></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">contourplot3d(r_eqsPbec-r_eqsPbec2,0.1..1,-1..1);</Text-field></Input><Output><Text-field layout="Maple Plot"><Plot height="400" plot-scale="1.0" plot-xtrans="0.0" plot-ytrans="0.0" type="three-dimensional" width="400">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-%*AXESSTYLEG6#%$BOXG-%,ORIENTATIONG6$$"$z"F-$"#sF--%&STYLEG6#%-PATCHCONTOURG</Plot></Text-field></Output></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input"/></Input></Group></Section></Section></Section><Text-field/><Section collapsed="true"><Title><Text-field layout="Heading 1" style="Heading 1">LDA</Text-field></Title><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">loc(eqs_ex_lda)intersect loc(eqs_pbec2);</Text-field></Input><Output><Text-field layout="Maple Output" style="2D Output"><Equation style="2D Output">NiM8I0klYmV0YUc2Ig==</Equation></Text-field></Output></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">sameNameSameDef(eqs_pbec2,eqs_ex_lda);</Text-field></Input><Output><Text-field layout="Maple Output" style="2D Output"><Equation style="2D Output">NiNJJXRydWVHSSpwcm90ZWN0ZWRHRiQ=</Equation></Text-field></Output></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">eqs_lda:=combineEqs([subs(rhoa=rho/2,rhob=rho/2,eqs_pbec2),eqs_ex_lda,[exc=ex_lda+ec]]):
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unk(eqs_lda);</Text-field></Input><Output><Text-field layout="Maple Output" style="2D Output"><Equation style="2D Output">NiM8JUkjUGlHSSpwcm90ZWN0ZWRHRiVJKm5vcm1fZHJob0c2IkkkcmhvR0Yn</Equation></Text-field></Output></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">arg_lda_names:=[rho,norm_drho]; </Text-field></Input><Output><Text-field layout="Maple Output" style="2D Output"><Equation style="2D Output">NiM+SS5hcmdfbGRhX25hbWVzRzYiNyRJJHJob0dGJUkqbm9ybV9kcmhvR0Yl</Equation></Text-field></Output></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">deriv_lda1:=calcDerivs(eqs_lda,arg_lda_names):
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deriv_lda2:=[seq(op(calcDerivs(deriv_lda1[i],[rho])),i=1..2),op(calcDerivs(deriv_lda1[2],[norm_drho]))]:
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deriv_lda3:=[seq(op(calcDerivs(deriv_lda2[i],[rho])),i=1..3),op(calcDerivs(deriv_lda2[3],[norm_drho]))]:
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</Text-field></Input></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">eqs_lda2:=sostConst(eqs_lda):
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sameNameSameDef(eqs_lda2,deriv_lda1[i])$i=1..2;
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sameNameSameDef(eqs_lda2,deriv_lda2[i])$i=1..3;
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sameNameSameDef(eqs_lda2,deriv_lda3[i])$i=1..4;
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seq(sameNameSameDef(deriv_lda1[i],deriv_lda2[j])$i=1..2,j=1..3);
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seq(sameNameSameDef(deriv_lda1[i],deriv_lda3[j])$i=1..2,j=1..4);
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seq(sameNameSameDef(deriv_lda2[i],deriv_lda3[j])$i=1..3,j=1..4);</Text-field></Input><Output><Text-field layout="Maple Output" style="2D Output"><Equation style="2D Output">NiRJJXRydWVHSSpwcm90ZWN0ZWRHRiRGIw==</Equation></Text-field><Text-field layout="Maple Output" style="2D Output"><Equation style="2D Output">NiVJJXRydWVHSSpwcm90ZWN0ZWRHRiRGI0Yj</Equation></Text-field></Output><Output><Text-field layout="Maple Output" style="2D Output"><Equation style="2D Output">NiZJJXRydWVHSSpwcm90ZWN0ZWRHRiRGI0YjRiM=</Equation></Text-field><Text-field layout="Maple Output" style="2D Output"><Equation style="2D Output">NihJJXRydWVHSSpwcm90ZWN0ZWRHRiRGI0YjRiNGI0Yj</Equation></Text-field></Output><Output><Text-field layout="Maple Output" style="2D Output"><Equation style="2D Output">NipJJXRydWVHSSpwcm90ZWN0ZWRHRiRGI0YjRiNGI0YjRiNGIw==</Equation></Text-field></Output><Output><Text-field layout="Maple Output" style="2D Output"><Equation style="2D Output">Ni5JJXRydWVHSSpwcm90ZWN0ZWRHRiRGI0YjRiNGI0YjRiNGI0YjRiNGI0Yj</Equation></Text-field></Output></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">eqs_lda3:=combineEqs([eqs_lda2,op(deriv_lda1),op(deriv_lda2),op(deriv_lda3)]):</Text-field></Input></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">eqs_lda4:=enforceDependencies([my_rho=rho,my_norm_drho=norm_drho,
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op(subs(rho=my_rho,norm_drho=my_norm_drho,eqs_lda3))]):</Text-field></Input></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">res_eqs_lda:={exc,exc_rho,exc_norm_drho,exc_rho_rho,exc_norm_drho_rho,exc_norm_drho_norm_drho,
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exc_rho_rho_rho,exc_norm_drho_rho_rho,exc_norm_drho_norm_drho_rho,
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exc_norm_drho_norm_drho_norm_drho};
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for my_symb in res_eqs_lda do
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print(my_symb,unk([op(eqs_lda4),result=my_symb]));
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end do;</Text-field></Input><Output><Text-field layout="Maple Output" style="2D Output"><Equation style="2D Output">NiM+SSxyZXNfZXFzX2xkYUc2IjwsSS5leGNfbm9ybV9kcmhvR0YlSTZleGNfbm9ybV9kcmhvX3Job19yaG9HRiVJPGV4Y19ub3JtX2RyaG9fbm9ybV9kcmhvX3Job0dGJUkoZXhjX3Job0dGJUkkZXhjR0YlSThleGNfbm9ybV9kcmhvX25vcm1fZHJob0dGJUkwZXhjX3Job19yaG9fcmhvR0YlSTJleGNfbm9ybV9kcmhvX3Job0dGJUksZXhjX3Job19yaG9HRiVJQmV4Y19ub3JtX2RyaG9fbm9ybV9kcmhvX25vcm1fZHJob0dGJQ==</Equation></Text-field><Text-field layout="Maple Output" style="2D Output"><Equation style="2D Output">NiRJLmV4Y19ub3JtX2RyaG9HNiI8JUkjUGlHSSpwcm90ZWN0ZWRHRidJKm5vcm1fZHJob0dGJEkkcmhvR0Yk</Equation></Text-field><Text-field layout="Maple Output" style="2D Output"><Equation style="2D Output">NiRJNmV4Y19ub3JtX2RyaG9fcmhvX3Job0c2IjwlSSNQaUdJKnByb3RlY3RlZEdGJ0kqbm9ybV9kcmhvR0YkSSRyaG9HRiQ=</Equation></Text-field><Text-field layout="Maple Output" style="2D Output"><Equation style="2D Output">NiRJPGV4Y19ub3JtX2RyaG9fbm9ybV9kcmhvX3Job0c2IjwlSSNQaUdJKnByb3RlY3RlZEdGJ0kqbm9ybV9kcmhvR0YkSSRyaG9HRiQ=</Equation></Text-field></Output><Output><Text-field layout="Maple Output" style="2D Output"><Equation style="2D Output">NiRJKGV4Y19yaG9HNiI8JUkjUGlHSSpwcm90ZWN0ZWRHRidJKm5vcm1fZHJob0dGJEkkcmhvR0Yk</Equation></Text-field><Text-field layout="Maple Output" style="2D Output"><Equation style="2D Output">NiRJJGV4Y0c2IjwlSSNQaUdJKnByb3RlY3RlZEdGJ0kqbm9ybV9kcmhvR0YkSSRyaG9HRiQ=</Equation></Text-field><Text-field layout="Maple Output" style="2D Output"><Equation style="2D Output">NiRJOGV4Y19ub3JtX2RyaG9fbm9ybV9kcmhvRzYiPCVJI1BpR0kqcHJvdGVjdGVkR0YnSSpub3JtX2RyaG9HRiRJJHJob0dGJA==</Equation></Text-field><Text-field layout="Maple Output" style="2D Output"><Equation style="2D Output">NiRJMGV4Y19yaG9fcmhvX3Job0c2IjwlSSNQaUdJKnByb3RlY3RlZEdGJ0kqbm9ybV9kcmhvR0YkSSRyaG9HRiQ=</Equation></Text-field><Text-field layout="Maple Output" style="2D Output"><Equation style="2D Output">NiRJMmV4Y19ub3JtX2RyaG9fcmhvRzYiPCVJI1BpR0kqcHJvdGVjdGVkR0YnSSpub3JtX2RyaG9HRiRJJHJob0dGJA==</Equation></Text-field><Text-field layout="Maple Output" style="2D Output"><Equation style="2D Output">NiRJLGV4Y19yaG9fcmhvRzYiPCVJI1BpR0kqcHJvdGVjdGVkR0YnSSpub3JtX2RyaG9HRiRJJHJob0dGJA==</Equation></Text-field><Text-field layout="Maple Output" style="2D Output"><Equation style="2D Output">NiRJQmV4Y19ub3JtX2RyaG9fbm9ybV9kcmhvX25vcm1fZHJob0c2IjwlSSNQaUdJKnByb3RlY3RlZEdGJ0kqbm9ybV9kcmhvR0YkSSRyaG9HRiQ=</Equation></Text-field></Output></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">glob_eqs_lda4:={my_rho,my_norm_drho}union res_eqs_lda;</Text-field></Input><Output><Text-field layout="Maple Output" style="2D Output"><Equation style="2D Output">NiM+SS5nbG9iX2Vxc19sZGE0RzYiPC5JLmV4Y19ub3JtX2RyaG9HRiVJNmV4Y19ub3JtX2RyaG9fcmhvX3Job0dGJUknbXlfcmhvR0YlSTxleGNfbm9ybV9kcmhvX25vcm1fZHJob19yaG9HRiVJKGV4Y19yaG9HRiVJJGV4Y0dGJUk4ZXhjX25vcm1fZHJob19ub3JtX2RyaG9HRiVJMGV4Y19yaG9fcmhvX3Job0dGJUkyZXhjX25vcm1fZHJob19yaG9HRiVJLW15X25vcm1fZHJob0dGJUksZXhjX3Job19yaG9HRiVJQmV4Y19ub3JtX2RyaG9fbm9ybV9kcmhvX25vcm1fZHJob0dGJQ==</Equation></Text-field></Output></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">cs_eqs_lda4:=CompSeq(locals=loc(eqs_lda4)minus glob_eqs_lda4,
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globals=glob_eqs_lda4,params=[rho,norm_drho,tau],eqs_lda4):
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r_eqs_lda4:=convert(cs_eqs_lda4,procedure):</Text-field></Input></Group><Section collapsed="true"><Title><Text-field layout="Heading 2" style="Heading 2">Fortran code</Text-field></Title><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">Fortran(r_eqs_lda4,defaulttype=float,optimize);</Text-field></Input><Output><Text-field layout="Warning" style="Warning">Warning, The following variable name replacements were made: ["cg", "cg0", "cg1", "cg10", "cg11", "cg12", "cg13", "cg14", "cg15", "cg16", "cg17", "cg18", "cg19", "cg2", "cg20", "cg21", "cg22", "cg23", "cg24", "cg25", "cg26", "cg27", "cg28", "cg29", "cg3", "cg30", "cg31", "cg32", "cg33", "cg34", "cg35", "cg36", "cg37", "cg38", "cg39", "cg4", "cg40", "cg41", "cg42", "cg43", "cg44", "cg45", "cg46", "cg47", "cg48", "cg49", "cg5", "cg50", "cg51", "cg52", "cg53", "cg54", "cg55", "cg56", "cg57", "cg58", "cg59", "cg6", "cg60", "cg61", "cg62", "cg63", "cg64", "cg65", "cg66", "cg7", "cg8", "cg9"] = ["norm_drho", "k_s1rho", "k_f", "epsilon_cGGArhorho", "epsilon_cGGArho", "ex_unifrho", "snorm_drho", "k_frhorho", "trhorho", "ex_unif", "srho1rho", "tnorm_drhorho", "Hnorm_drhorho", "Hnorm_drho", "k_srhorho", "Arhorho", "e_c_u_0", "trho1rho", "ex_unif1rho", "Fxrhorho", "Fxnorm_drho1rho", "e_c_u_02rho", "Fxnorm_drhonorm_drho", "Fxrho1rho", "epsilon_cGGA", "Fx1rhorho", "snorm_drho1rho", "kfrhorho", "tnorm_drho", "A1rhorho", "Arho1rho", "kfrhorhorho", "e_c_u_0rho1rho", "tnorm_drhorhorho", "s1rhorho", "e_c_u_0rho", "k_s", "trhorhorho", "rsrhorhorho", "t1rhorho", "k_f2rho", "k_s2rho", "k_srho1rho", "snorm_drhorho", "Fxnorm_drhorho", "ex_unif2rho", "k_srho", "ex_unifrho1rho", "ex_unif1rhorho", "ex_ldarhorhorho", "tnorm_drho1rho", "k_s1rhorho", "e_c_u_01rho", "Arhorhorho", "srhorho", "Fxnorm_drho", "gamma_var", "e_c_u_0rhorho", "rsrhorho", "ex_unifrhorho", "k_frho", "t2norm_drho", "e_c_u_01rhorho", "k_frhorhorho", "r_eqs_lda4", "e_c_u_0rhorhorho", "s2norm_drho", "Hnorm_drhonorm_drho"]
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</Text-field></Output><Output><Text-field layout="Normal" style="Line Printed Output"> doubleprecision function cg66 (rho, cg, tau)
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doubleprecision exc_norm_drho_rho_rho
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doubleprecision exc_norm_drho
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doubleprecision exc_rho
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doubleprecision exc_rho_rho
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doubleprecision exc
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doubleprecision exc_norm_drho_norm_drho_rho
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doubleprecision exc_norm_drho_norm_drho
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doubleprecision exc_norm_drho_rho
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doubleprecision exc_rho_rho_rho
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doubleprecision exc_norm_drho_norm_drho_norm_drho
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doubleprecision my_rho
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doubleprecision my_norm_drho
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common exc_norm_drho_rho_rho, exc_norm_drho, exc_rho, exc_rho_rh
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#o, exc, exc_norm_drho_norm_drho_rho, exc_norm_drho_norm_drho, exc_
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#norm_drho_rho, exc_rho_rho_rho, exc_norm_drho_norm_drho_norm_drho,
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# my_rho, my_norm_drho
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doubleprecision rho
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doubleprecision cg
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doubleprecision tau
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doubleprecision rs2rho
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doubleprecision t1021
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doubleprecision t325
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doubleprecision cg0
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doubleprecision t738
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doubleprecision t603
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doubleprecision t281
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doubleprecision t339
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doubleprecision t133
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doubleprecision t1076
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doubleprecision t1885
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doubleprecision t234
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doubleprecision rs
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doubleprecision cg1
|
|
doubleprecision t525
|
|
doubleprecision cg2
|
|
doubleprecision rsrho
|
|
doubleprecision cg3
|
|
doubleprecision t652
|
|
doubleprecision Arho
|
|
doubleprecision s
|
|
doubleprecision t1167
|
|
doubleprecision t915
|
|
doubleprecision t927
|
|
doubleprecision t573
|
|
doubleprecision cg4
|
|
doubleprecision t1720
|
|
doubleprecision cg5
|
|
doubleprecision t1865
|
|
doubleprecision t1871
|
|
doubleprecision cg6
|
|
doubleprecision t1627
|
|
doubleprecision t905
|
|
doubleprecision cg7
|
|
doubleprecision t407
|
|
doubleprecision cg8
|
|
doubleprecision t1932
|
|
doubleprecision t131
|
|
doubleprecision t132
|
|
doubleprecision t134
|
|
doubleprecision t136
|
|
doubleprecision t77
|
|
doubleprecision t79
|
|
doubleprecision t80
|
|
doubleprecision t81
|
|
doubleprecision t1079
|
|
doubleprecision t1019
|
|
doubleprecision t1501
|
|
doubleprecision t898
|
|
doubleprecision t1480
|
|
doubleprecision t962
|
|
doubleprecision t903
|
|
doubleprecision t349
|
|
doubleprecision t1286
|
|
doubleprecision cg9
|
|
doubleprecision t1074
|
|
doubleprecision cg10
|
|
doubleprecision cg11
|
|
doubleprecision cg12
|
|
doubleprecision cg13
|
|
doubleprecision cg14
|
|
doubleprecision Fx
|
|
doubleprecision t1237
|
|
doubleprecision cg15
|
|
doubleprecision t658
|
|
doubleprecision t1648
|
|
doubleprecision t1584
|
|
doubleprecision t432
|
|
doubleprecision t1080
|
|
doubleprecision t1081
|
|
doubleprecision t460
|
|
doubleprecision t462
|
|
doubleprecision t464
|
|
doubleprecision t467
|
|
doubleprecision t470
|
|
doubleprecision t471
|
|
doubleprecision t1702
|
|
doubleprecision Fxrho
|
|
doubleprecision cg16
|
|
doubleprecision t1433
|
|
doubleprecision t1443
|
|
doubleprecision t291
|
|
doubleprecision t294
|
|
doubleprecision cg17
|
|
doubleprecision t423
|
|
doubleprecision t145
|
|
doubleprecision t146
|
|
doubleprecision t149
|
|
doubleprecision t150
|
|
doubleprecision t152
|
|
doubleprecision cg18
|
|
doubleprecision cg19
|
|
doubleprecision cg20
|
|
doubleprecision t210
|
|
doubleprecision t211
|
|
doubleprecision t951
|
|
doubleprecision t664
|
|
doubleprecision t384
|
|
doubleprecision t1083
|
|
doubleprecision t1747
|
|
doubleprecision t1497
|
|
doubleprecision t586
|
|
doubleprecision t429
|
|
doubleprecision t63
|
|
doubleprecision t1636
|
|
doubleprecision t921
|
|
doubleprecision t1rho
|
|
doubleprecision t1330
|
|
doubleprecision t1333
|
|
doubleprecision cg21
|
|
doubleprecision t380
|
|
doubleprecision t383
|
|
doubleprecision t389
|
|
doubleprecision t392
|
|
doubleprecision t1086
|
|
doubleprecision t741
|
|
doubleprecision kf2rho
|
|
doubleprecision s2rho
|
|
doubleprecision t900
|
|
doubleprecision t1842
|
|
doubleprecision t960
|
|
doubleprecision t906
|
|
doubleprecision t229
|
|
doubleprecision t230
|
|
doubleprecision cg22
|
|
doubleprecision cg23
|
|
doubleprecision t282
|
|
doubleprecision t285
|
|
doubleprecision t287
|
|
doubleprecision t288
|
|
doubleprecision t418
|
|
doubleprecision t22
|
|
doubleprecision t1089
|
|
doubleprecision t992
|
|
doubleprecision t852
|
|
doubleprecision t618
|
|
doubleprecision t97
|
|
doubleprecision t964
|
|
doubleprecision t217
|
|
doubleprecision t218
|
|
doubleprecision t219
|
|
doubleprecision t1852
|
|
doubleprecision t1837
|
|
doubleprecision t1327
|
|
doubleprecision t1329
|
|
doubleprecision t574
|
|
doubleprecision t
|
|
doubleprecision t64
|
|
doubleprecision t494
|
|
doubleprecision t1891
|
|
doubleprecision t1068
|
|
doubleprecision t1090
|
|
doubleprecision t1091
|
|
doubleprecision t100
|
|
doubleprecision t101
|
|
doubleprecision t102
|
|
doubleprecision t1686
|
|
doubleprecision t1071
|
|
doubleprecision t433
|
|
doubleprecision t436
|
|
doubleprecision t437
|
|
doubleprecision t438
|
|
doubleprecision t442
|
|
doubleprecision t1236
|
|
integer t1
|
|
integer t2
|
|
doubleprecision cg24
|
|
doubleprecision t1786
|
|
doubleprecision t750
|
|
doubleprecision t1004
|
|
doubleprecision t1571
|
|
doubleprecision t94
|
|
doubleprecision cg25
|
|
doubleprecision t74
|
|
doubleprecision t75
|
|
doubleprecision t1094
|
|
doubleprecision cg26
|
|
doubleprecision t980
|
|
doubleprecision cg27
|
|
doubleprecision t1910
|
|
doubleprecision t545
|
|
doubleprecision t1477
|
|
doubleprecision t1328
|
|
doubleprecision mu
|
|
doubleprecision t194
|
|
doubleprecision t197
|
|
doubleprecision t206
|
|
doubleprecision t1484
|
|
doubleprecision t1050
|
|
doubleprecision t1451
|
|
doubleprecision t1794
|
|
doubleprecision t184
|
|
doubleprecision t1458
|
|
doubleprecision t1459
|
|
doubleprecision t1455
|
|
doubleprecision t943
|
|
doubleprecision t760
|
|
doubleprecision t890
|
|
doubleprecision t824
|
|
doubleprecision t1533
|
|
doubleprecision A1rho
|
|
doubleprecision cg28
|
|
doubleprecision t1096
|
|
doubleprecision t269
|
|
doubleprecision t273
|
|
doubleprecision t274
|
|
doubleprecision t279
|
|
doubleprecision cg29
|
|
doubleprecision t1913
|
|
doubleprecision t1273
|
|
doubleprecision t1098
|
|
doubleprecision kfrho
|
|
doubleprecision t1324
|
|
doubleprecision cg30
|
|
doubleprecision t908
|
|
doubleprecision t1054
|
|
doubleprecision t358
|
|
doubleprecision t84
|
|
doubleprecision t85
|
|
doubleprecision cg31
|
|
doubleprecision kf
|
|
doubleprecision t806
|
|
doubleprecision cg32
|
|
doubleprecision cg33
|
|
doubleprecision t293
|
|
doubleprecision t754
|
|
doubleprecision t1133
|
|
doubleprecision t984
|
|
doubleprecision t891
|
|
doubleprecision t1049
|
|
doubleprecision t1058
|
|
doubleprecision t553
|
|
integer t3
|
|
integer t4
|
|
doubleprecision t5
|
|
doubleprecision t1759
|
|
doubleprecision t1159
|
|
doubleprecision t311
|
|
doubleprecision t911
|
|
doubleprecision cg34
|
|
doubleprecision t2rho
|
|
doubleprecision t1924
|
|
doubleprecision t807
|
|
doubleprecision t6
|
|
doubleprecision t7
|
|
doubleprecision t8
|
|
doubleprecision t260
|
|
doubleprecision t1588
|
|
doubleprecision t1811
|
|
doubleprecision t1815
|
|
doubleprecision t108
|
|
doubleprecision t109
|
|
doubleprecision t110
|
|
doubleprecision t111
|
|
doubleprecision t112
|
|
doubleprecision t76
|
|
doubleprecision cg35
|
|
doubleprecision t57
|
|
doubleprecision t58
|
|
doubleprecision t59
|
|
doubleprecision t60
|
|
doubleprecision t559
|
|
doubleprecision t566
|
|
doubleprecision t571
|
|
doubleprecision cg36
|
|
doubleprecision t1102
|
|
doubleprecision cg37
|
|
doubleprecision t930
|
|
doubleprecision t190
|
|
doubleprecision t235
|
|
doubleprecision t236
|
|
doubleprecision t237
|
|
doubleprecision t240
|
|
doubleprecision t241
|
|
doubleprecision t242
|
|
doubleprecision t244
|
|
doubleprecision t245
|
|
doubleprecision t1514
|
|
doubleprecision t11
|
|
doubleprecision t160
|
|
doubleprecision t163
|
|
doubleprecision t164
|
|
doubleprecision t167
|
|
doubleprecision t168
|
|
doubleprecision t171
|
|
doubleprecision t172
|
|
doubleprecision t173
|
|
doubleprecision t909
|
|
doubleprecision t66
|
|
doubleprecision t1883
|
|
doubleprecision Fx2rho
|
|
doubleprecision t1517
|
|
doubleprecision t1520
|
|
doubleprecision t996
|
|
doubleprecision cg38
|
|
doubleprecision t224
|
|
doubleprecision t1425
|
|
doubleprecision t1943
|
|
doubleprecision t117
|
|
doubleprecision t120
|
|
doubleprecision t121
|
|
doubleprecision t122
|
|
doubleprecision t125
|
|
doubleprecision t129
|
|
doubleprecision t357
|
|
doubleprecision t416
|
|
doubleprecision srho
|
|
doubleprecision t318
|
|
doubleprecision t321
|
|
doubleprecision t323
|
|
doubleprecision t326
|
|
doubleprecision t329
|
|
doubleprecision t330
|
|
doubleprecision t1105
|
|
doubleprecision cg39
|
|
doubleprecision t68
|
|
doubleprecision t69
|
|
doubleprecision t12
|
|
doubleprecision t1166
|
|
doubleprecision t1552
|
|
doubleprecision t1240
|
|
doubleprecision cg40
|
|
doubleprecision t1578
|
|
doubleprecision cg41
|
|
doubleprecision t72
|
|
doubleprecision t73
|
|
doubleprecision t1111
|
|
doubleprecision A
|
|
doubleprecision t15
|
|
doubleprecision t1438
|
|
doubleprecision t882
|
|
doubleprecision t808
|
|
doubleprecision t1406
|
|
doubleprecision trho
|
|
doubleprecision t1087
|
|
doubleprecision cg42
|
|
doubleprecision t1053
|
|
doubleprecision cg43
|
|
doubleprecision t61
|
|
doubleprecision t62
|
|
doubleprecision Fx1rho
|
|
doubleprecision t153
|
|
doubleprecision t154
|
|
doubleprecision t157
|
|
doubleprecision t158
|
|
doubleprecision t159
|
|
doubleprecision t1806
|
|
doubleprecision t246
|
|
doubleprecision t17
|
|
doubleprecision t19
|
|
doubleprecision cg44
|
|
doubleprecision cg45
|
|
doubleprecision A2rho
|
|
doubleprecision cg46
|
|
doubleprecision cg47
|
|
doubleprecision cg48
|
|
doubleprecision t23
|
|
doubleprecision t324
|
|
doubleprecision t1446
|
|
doubleprecision t1951
|
|
doubleprecision t1956
|
|
doubleprecision t972
|
|
doubleprecision t250
|
|
doubleprecision t253
|
|
doubleprecision t254
|
|
doubleprecision t255
|
|
doubleprecision t258
|
|
doubleprecision t259
|
|
doubleprecision t261
|
|
doubleprecision t262
|
|
doubleprecision t263
|
|
doubleprecision t1684
|
|
doubleprecision t88
|
|
doubleprecision t89
|
|
doubleprecision cg49
|
|
doubleprecision t1176
|
|
doubleprecision t528
|
|
doubleprecision t532
|
|
doubleprecision t536
|
|
doubleprecision cg50
|
|
doubleprecision cg51
|
|
doubleprecision cg52
|
|
doubleprecision cg53
|
|
doubleprecision t576
|
|
doubleprecision t1112
|
|
doubleprecision t1172
|
|
doubleprecision t348
|
|
doubleprecision t351
|
|
doubleprecision t352
|
|
doubleprecision t354
|
|
doubleprecision t356
|
|
doubleprecision cg54
|
|
doubleprecision s1rho
|
|
doubleprecision t361
|
|
doubleprecision t365
|
|
doubleprecision t366
|
|
doubleprecision t369
|
|
doubleprecision t373
|
|
doubleprecision t375
|
|
doubleprecision t376
|
|
doubleprecision t377
|
|
doubleprecision cg55
|
|
doubleprecision t1207
|
|
doubleprecision t1208
|
|
doubleprecision t1848
|
|
doubleprecision t1006
|
|
doubleprecision cg56
|
|
doubleprecision t1766
|
|
doubleprecision t415
|
|
doubleprecision t177
|
|
doubleprecision t178
|
|
doubleprecision t179
|
|
doubleprecision t180
|
|
doubleprecision t182
|
|
doubleprecision t186
|
|
doubleprecision t98
|
|
doubleprecision t1683
|
|
doubleprecision cg57
|
|
doubleprecision t1439
|
|
doubleprecision t393
|
|
doubleprecision t398
|
|
doubleprecision t402
|
|
doubleprecision t403
|
|
doubleprecision t405
|
|
doubleprecision t406
|
|
doubleprecision cg58
|
|
doubleprecision cg59
|
|
doubleprecision t956
|
|
doubleprecision cg60
|
|
doubleprecision t546
|
|
doubleprecision t549
|
|
doubleprecision t730
|
|
doubleprecision t1180
|
|
doubleprecision t612
|
|
doubleprecision t506
|
|
doubleprecision t797
|
|
doubleprecision t513
|
|
doubleprecision t518
|
|
doubleprecision t523
|
|
doubleprecision t493
|
|
doubleprecision t874
|
|
doubleprecision t500
|
|
doubleprecision t501
|
|
doubleprecision t335
|
|
doubleprecision t336
|
|
doubleprecision t342
|
|
doubleprecision t345
|
|
doubleprecision t346
|
|
doubleprecision cg61
|
|
doubleprecision cg62
|
|
doubleprecision t36
|
|
doubleprecision t1506
|
|
doubleprecision t1563
|
|
doubleprecision t1564
|
|
doubleprecision cg63
|
|
doubleprecision t686
|
|
doubleprecision t522
|
|
doubleprecision t91
|
|
doubleprecision t1061
|
|
doubleprecision t913
|
|
doubleprecision t453
|
|
doubleprecision t457
|
|
doubleprecision t967
|
|
doubleprecision cg64
|
|
doubleprecision cg65
|
|
doubleprecision t1187
|
|
doubleprecision t611
|
|
doubleprecision t1829
|
|
doubleprecision t1833
|
|
doubleprecision t49
|
|
doubleprecision t424
|
|
doubleprecision t425
|
|
doubleprecision t426
|
|
doubleprecision t428
|
|
doubleprecision t430
|
|
doubleprecision t958
|
|
doubleprecision t295
|
|
doubleprecision t299
|
|
doubleprecision t301
|
|
doubleprecision t302
|
|
doubleprecision t303
|
|
doubleprecision t304
|
|
doubleprecision t55
|
|
integer t51
|
|
doubleprecision t474
|
|
doubleprecision t477
|
|
doubleprecision t478
|
|
doubleprecision t479
|
|
doubleprecision t482
|
|
doubleprecision t486
|
|
doubleprecision t490
|
|
doubleprecision t1442
|
|
doubleprecision t914
|
|
doubleprecision t876
|
|
doubleprecision t878
|
|
doubleprecision t879
|
|
doubleprecision t877
|
|
doubleprecision t1100
|
|
doubleprecision t1876
|
|
doubleprecision t628
|
|
doubleprecision t629
|
|
doubleprecision t634
|
|
doubleprecision t138
|
|
doubleprecision t140
|
|
doubleprecision t141
|
|
doubleprecision t142
|
|
doubleprecision t1130
|
|
doubleprecision t1194
|
|
my_rho = rho
|
|
my_norm_drho = cg
|
|
t1 = 3 ** (0.1D1 / 0.3D1)
|
|
t2 = 4 ** (0.1D1 / 0.3D1)
|
|
t3 = t2 ** 2
|
|
t4 = t1 * t3
|
|
t5 = 0.1D1 / 0.3141592654D1
|
|
t6 = 0.1D1 / rho
|
|
t7 = t5 * t6
|
|
t8 = t7 ** (0.1D1 / 0.3D1)
|
|
rs = dble(t4) * t8 / 0.4D1
|
|
t11 = 0.1D1 + 0.21370D0 * rs
|
|
t12 = sqrt(rs)
|
|
t15 = t12 * rs
|
|
t17 = rs ** 0.20D1
|
|
t19 = 0.75957D1 * t12 + 0.35876D1 * rs + 0.16382D1 * t15 + 0.492
|
|
#94D0 * t17
|
|
t22 = 0.1D1 + 0.1608182432D2 / t19
|
|
t23 = log(t22)
|
|
cg22 = -0.62182D-1 * t11 * t23
|
|
t36 = log(0.1D1 + 0.3216468318D2 / (0.141189D2 * t12 + 0.61977D1
|
|
# * rs + 0.33662D1 * t15 + 0.62517D0 * t17))
|
|
t49 = log(0.1D1 + 0.2960857464D1 / (0.10357D2 * t12 + 0.36231D1
|
|
#* rs + 0.88026D0 * t15 + 0.49671D0 * t17))
|
|
t51 = 2 ** (0.1D1 / 0.3D1)
|
|
t55 = log(0.2D1)
|
|
t57 = 0.3141592654D1 ** 2
|
|
t58 = 0.1D1 / t57
|
|
cg59 = (0.1D1 - t55) * t58
|
|
t59 = t57 * rho
|
|
t60 = t59 ** (0.1D1 / 0.3D1)
|
|
cg1 = dble(t1) * t60
|
|
t61 = cg1 * t5
|
|
t62 = sqrt(t61)
|
|
cg40 = 0.2D1 * t62
|
|
t63 = 0.1D1 / cg40
|
|
t64 = cg * t63
|
|
t = t64 * t6 / 0.2D1
|
|
t66 = 0.1D1 / cg59
|
|
t68 = exp(-cg22 * t66)
|
|
t69 = -0.1D1 + t68
|
|
A = 0.66725D-1 * t66 / t69
|
|
t72 = t ** 2
|
|
t73 = t66 * t72
|
|
t74 = A * t72
|
|
t75 = 0.1D1 + t74
|
|
t76 = A ** 2
|
|
t77 = t72 ** 2
|
|
t79 = 0.1D1 + t74 + t76 * t77
|
|
t80 = 0.1D1 / t79
|
|
t81 = t75 * t80
|
|
t84 = 0.1D1 + 0.66725D-1 * t73 * t81
|
|
t85 = log(t84)
|
|
cg3 = cg22 + cg59 * t85
|
|
mu = 0.2224166667D-1 * t57
|
|
kf = cg1
|
|
cg16 = -0.3D1 / 0.4D1 * t5 * kf
|
|
t88 = 0.1D1 / kf
|
|
t89 = cg * t88
|
|
s = t89 * t6 / 0.2D1
|
|
t91 = s ** 2
|
|
t94 = 0.1D1 + 0.1243781095D1 * mu * t91
|
|
Fx = 0.1804D1 - 0.804D0 / t94
|
|
t97 = rho * cg16
|
|
exc = t97 * Fx + rho * cg3
|
|
t98 = t8 ** 2
|
|
t100 = 0.1D1 / t98 * t5
|
|
t101 = rho ** 2
|
|
t102 = 0.1D1 / t101
|
|
rsrho = -dble(t4) * t100 * t102 / 0.12D2
|
|
t108 = t19 ** 2
|
|
t109 = 0.1D1 / t108
|
|
t110 = t11 * t109
|
|
t111 = 0.1D1 / t12
|
|
t112 = t111 * rsrho
|
|
t117 = rs ** 0.10D1
|
|
t120 = 0.3797850000D1 * t112 + 0.35876D1 * rsrho + 0.2457300000D
|
|
#1 * t12 * rsrho + 0.985880D0 * t117 * rsrho
|
|
t121 = 0.1D1 / t22
|
|
t122 = t120 * t121
|
|
cg4 = -0.1328829340D-1 * rsrho * t23 + 0.9999999999D0 * t110 * t
|
|
#122
|
|
t125 = t60 ** 2
|
|
cg62 = dble(t1) / t125 * t57 / 0.3D1
|
|
t129 = 0.1D1 / t62
|
|
cg5 = t129 * cg62 * t5
|
|
t131 = cg40 ** 2
|
|
t132 = 0.1D1 / t131
|
|
t133 = cg * t132
|
|
t134 = t6 * cg5
|
|
t136 = t64 * t102
|
|
trho = -t133 * t134 / 0.2D1 - t136 / 0.2D1
|
|
t138 = cg59 ** 2
|
|
t140 = t69 ** 2
|
|
t141 = 0.1D1 / t140
|
|
t142 = 0.1D1 / t138 * t141
|
|
Arho = 0.66725D-1 * t142 * cg4 * t68
|
|
t145 = t66 * t
|
|
t146 = t81 * trho
|
|
t149 = Arho * t72
|
|
t150 = A * t
|
|
t152 = 0.2D1 * t150 * trho
|
|
t153 = t149 + t152
|
|
t154 = t153 * t80
|
|
t157 = t79 ** 2
|
|
t158 = 0.1D1 / t157
|
|
t159 = t75 * t158
|
|
t160 = A * t77
|
|
t163 = t72 * t
|
|
t164 = t76 * t163
|
|
t167 = t149 + t152 + 0.2D1 * t160 * Arho + 0.4D1 * t164 * trho
|
|
t168 = t159 * t167
|
|
t171 = 0.133450D0 * t145 * t146 + 0.66725D-1 * t73 * t154 - 0.66
|
|
#725D-1 * t73 * t168
|
|
t172 = cg59 * t171
|
|
t173 = 0.1D1 / t84
|
|
cg11 = cg4 + t172 * t173
|
|
kfrho = cg62
|
|
cg12 = -0.3D1 / 0.4D1 * t5 * kfrho
|
|
t177 = kf ** 2
|
|
t178 = 0.1D1 / t177
|
|
t179 = cg * t178
|
|
t180 = t6 * kfrho
|
|
t182 = t89 * t102
|
|
srho = -t179 * t180 / 0.2D1 - t182 / 0.2D1
|
|
t184 = t94 ** 2
|
|
t186 = 0.1D1 / t184 * mu
|
|
Fxrho = 0.2000000001D1 * t186 * s * srho
|
|
t190 = rho * cg12
|
|
exc_rho = cg16 * Fx + t190 * Fx + t97 * Fxrho + cg3 + rho * cg11
|
|
cg33 = t63 * t6 / 0.2D1
|
|
t194 = t81 * cg33
|
|
t197 = t66 * t163
|
|
t206 = 0.2D1 * t150 * cg33 + 0.4D1 * t164 * cg33
|
|
t210 = 0.133450D0 * t145 * t194 + 0.133450D0 * t197 * A * cg33 *
|
|
# t80 - 0.66725D-1 * t73 * t159 * t206
|
|
t211 = cg59 * t210
|
|
cg2 = t211 * t173
|
|
cg13 = t88 * t6 / 0.2D1
|
|
cg58 = 0.2000000001D1 * t186 * s * cg13
|
|
exc_norm_drho = t97 * cg58 + rho * cg2
|
|
t217 = 0.1D1 / t98 / t7 * t58
|
|
t218 = t101 ** 2
|
|
t219 = 0.1D1 / t218
|
|
t224 = 0.1D1 / t101 / rho
|
|
cg60 = -dble(t4) * t217 * t219 / 0.18D2 + dble(t4) * t100 * t224
|
|
# / 0.6D1
|
|
t229 = 0.1328829340D-1 * cg60 * t23
|
|
t230 = rsrho * t109
|
|
t234 = 0.1D1 / t108 / t19
|
|
t235 = t11 * t234
|
|
t236 = t120 ** 2
|
|
t237 = t236 * t121
|
|
t240 = 0.1D1 / t15
|
|
t241 = rsrho ** 2
|
|
t242 = t240 * t241
|
|
t244 = t111 * cg60
|
|
t245 = 0.3797850000D1 * t244
|
|
t246 = 0.35876D1 * cg60
|
|
t250 = 0.2457300000D1 * t12 * cg60
|
|
t253 = 0.985880D0 * t117 * cg60
|
|
t254 = -0.1898925000D1 * t242 + t245 + t246 + 0.1228650000D1 * t
|
|
#111 * t241 + t250 + 0.9858800D0 * t241 + t253
|
|
t255 = t254 * t121
|
|
t258 = t108 ** 2
|
|
t259 = 0.1D1 / t258
|
|
t260 = t11 * t259
|
|
t261 = t22 ** 2
|
|
t262 = 0.1D1 / t261
|
|
t263 = t236 * t262
|
|
cg6 = -t229 + 0.4274000000D0 * t230 * t122 - 0.2000000000D1 * t2
|
|
#35 * t237 + 0.9999999999D0 * t110 * t255 + 0.1608182432D2 * t260 *
|
|
# t263
|
|
cg55 = cg4
|
|
t269 = t57 ** 2
|
|
cg14 = -0.2D1 / 0.9D1 * dble(t1) / t125 / t59 * t269
|
|
t273 = 0.1D1 / t62 / t61
|
|
t274 = cg62 ** 2
|
|
t279 = t129 * cg14 * t5
|
|
cg20 = -t273 * t274 * t58 / 0.2D1 + t279
|
|
cg0 = cg5
|
|
t281 = 0.1D1 / t131 / cg40
|
|
t282 = cg * t281
|
|
t285 = t102 * cg5
|
|
t287 = t133 * t285 / 0.2D1
|
|
t288 = t6 * cg20
|
|
t291 = t102 * cg0
|
|
t293 = t133 * t291 / 0.2D1
|
|
t294 = t64 * t224
|
|
cg15 = t282 * t134 * cg0 + t287 - t133 * t288 / 0.2D1 + t293 + t
|
|
#294
|
|
t295 = t6 * cg0
|
|
t1rho = -t133 * t295 / 0.2D1 - t136 / 0.2D1
|
|
t299 = 0.1D1 / t138 / cg59
|
|
t301 = 0.1D1 / t140 / t69
|
|
t302 = t299 * t301
|
|
t303 = t68 ** 2
|
|
t304 = cg4 * t303
|
|
t311 = t299 * t141
|
|
cg21 = 0.133450D0 * t302 * t304 * cg55 + 0.66725D-1 * t142 * cg6
|
|
# * t68 - 0.66725D-1 * t311 * cg4 * cg55 * t68
|
|
A1rho = 0.66725D-1 * t142 * cg55 * t68
|
|
t318 = t66 * t1rho
|
|
t321 = A1rho * t72
|
|
t323 = 0.2D1 * t150 * t1rho
|
|
t324 = t321 + t323
|
|
t325 = t324 * t80
|
|
t326 = t325 * trho
|
|
t329 = t145 * t75
|
|
t330 = t158 * trho
|
|
t335 = t321 + t323 + 0.2D1 * t160 * A1rho + 0.4D1 * t164 * t1rho
|
|
t336 = t330 * t335
|
|
t339 = t81 * cg15
|
|
t342 = t154 * t1rho
|
|
t345 = cg21 * t72
|
|
t346 = Arho * t
|
|
t348 = 0.2D1 * t346 * t1rho
|
|
t349 = A1rho * t
|
|
t351 = 0.2D1 * t349 * trho
|
|
t352 = A * t1rho
|
|
t354 = 0.2D1 * t352 * trho
|
|
t356 = 0.2D1 * t150 * cg15
|
|
t357 = t345 + t348 + t351 + t354 + t356
|
|
t358 = t357 * t80
|
|
t361 = t153 * t158
|
|
t365 = t158 * t167
|
|
t366 = t365 * t1rho
|
|
t369 = t324 * t158
|
|
t373 = t73 * t75
|
|
t375 = 0.1D1 / t157 / t79
|
|
t376 = t375 * t167
|
|
t377 = t376 * t335
|
|
t380 = A1rho * t77
|
|
t383 = A * t163
|
|
t384 = Arho * t1rho
|
|
t389 = trho * A1rho
|
|
t392 = t76 * t72
|
|
t393 = trho * t1rho
|
|
t398 = t345 + t348 + t351 + t354 + t356 + 0.2D1 * t380 * Arho +
|
|
#0.8D1 * t383 * t384 + 0.2D1 * t160 * cg21 + 0.8D1 * t383 * t389 +
|
|
#0.12D2 * t392 * t393 + 0.4D1 * t164 * cg15
|
|
t402 = 0.133450D0 * t318 * t146 + 0.133450D0 * t145 * t326 - 0.1
|
|
#33450D0 * t329 * t336 + 0.133450D0 * t145 * t339 + 0.133450D0 * t1
|
|
#45 * t342 + 0.66725D-1 * t73 * t358 - 0.66725D-1 * t73 * t361 * t3
|
|
#35 - 0.133450D0 * t329 * t366 - 0.66725D-1 * t73 * t369 * t167 + 0
|
|
#.133450D0 * t373 * t377 - 0.66725D-1 * t73 * t159 * t398
|
|
t403 = cg59 * t402
|
|
t405 = t84 ** 2
|
|
t406 = 0.1D1 / t405
|
|
t407 = t81 * t1rho
|
|
t415 = 0.133450D0 * t145 * t407 + 0.66725D-1 * t73 * t325 - 0.66
|
|
#725D-1 * t73 * t159 * t335
|
|
t416 = t406 * t415
|
|
t418 = cg59 * t415
|
|
cg10 = cg6 + t403 * t173 - t172 * t416
|
|
cg32 = cg14
|
|
cg61 = -0.3D1 / 0.4D1 * t5 * cg32
|
|
cg24 = cg12
|
|
t423 = 0.1D1 / t177 / kf
|
|
t424 = cg * t423
|
|
t425 = kfrho ** 2
|
|
t426 = t6 * t425
|
|
t428 = t102 * kfrho
|
|
t429 = t179 * t428
|
|
t430 = t6 * cg32
|
|
t432 = t179 * t430 / 0.2D1
|
|
t433 = t89 * t224
|
|
cg57 = t424 * t426 + t429 - t432 + t433
|
|
s1rho = srho
|
|
t436 = mu ** 2
|
|
t437 = 0.1D1 / t184 / t94 * t436
|
|
t438 = t91 * srho
|
|
t442 = s1rho * srho
|
|
cg25 = -0.9950248765D1 * t437 * t438 * s1rho + 0.2000000001D1 *
|
|
#t186 * t442 + 0.2000000001D1 * t186 * s * cg57
|
|
Fx1rho = 0.2000000001D1 * t186 * s * s1rho
|
|
t453 = rho * cg61
|
|
t457 = rho * cg24
|
|
exc_rho_rho = cg24 * Fx + cg16 * Fx1rho + cg12 * Fx + t453 * Fx
|
|
#+ t190 * Fx1rho + cg16 * Fxrho + t457 * Fxrho + t97 * cg25 + cg55
|
|
#+ t418 * t173 + cg11 + rho * cg10
|
|
t460 = t132 * t6
|
|
t462 = t63 * t102
|
|
cg18 = -t460 * cg5 / 0.2D1 - t462 / 0.2D1
|
|
t464 = t66 * trho
|
|
t467 = t154 * cg33
|
|
t470 = t158 * cg33
|
|
t471 = t470 * t167
|
|
t474 = t81 * cg18
|
|
t477 = t73 * A
|
|
t478 = cg33 * t80
|
|
t479 = t478 * trho
|
|
t482 = Arho * cg33
|
|
t486 = A * cg18
|
|
t490 = t197 * A
|
|
t493 = t158 * t206
|
|
t494 = t493 * trho
|
|
t500 = t375 * t206
|
|
t501 = t500 * t167
|
|
t506 = A * trho
|
|
t513 = cg33 * trho
|
|
t518 = 0.2D1 * t346 * cg33 + 0.2D1 * t506 * cg33 + 0.2D1 * t150
|
|
#* cg18 + 0.8D1 * t383 * t482 + 0.12D2 * t392 * t513 + 0.4D1 * t164
|
|
# * cg18
|
|
t522 = 0.133450D0 * t464 * t194 + 0.133450D0 * t145 * t467 - 0.1
|
|
#33450D0 * t329 * t471 + 0.133450D0 * t145 * t474 + 0.400350D0 * t4
|
|
#77 * t479 + 0.133450D0 * t197 * t482 * t80 + 0.133450D0 * t197 * t
|
|
#486 * t80 - 0.133450D0 * t490 * t471 - 0.133450D0 * t329 * t494 -
|
|
#0.66725D-1 * t73 * t361 * t206 + 0.133450D0 * t373 * t501 - 0.6672
|
|
#5D-1 * t73 * t159 * t518
|
|
t523 = cg59 * t522
|
|
t525 = t406 * t171
|
|
cg19 = t523 * t173 - t211 * t525
|
|
t528 = t178 * t6
|
|
cg47 = -t528 * kfrho / 0.2D1 - t88 * t102 / 0.2D1
|
|
t532 = t91 * cg13
|
|
t536 = srho * cg13
|
|
cg48 = -0.9950248765D1 * t437 * t532 * srho + 0.2000000001D1 * t
|
|
#186 * t536 + 0.2000000001D1 * t186 * s * cg47
|
|
exc_norm_drho_rho = cg16 * cg58 + t190 * cg58 + t97 * cg48 + cg2
|
|
# + rho * cg19
|
|
t545 = cg33 ** 2
|
|
t546 = t66 * t545
|
|
t549 = A * t545
|
|
t553 = t470 * t206
|
|
t559 = t206 ** 2
|
|
t566 = 0.2D1 * t549 + 0.12D2 * t392 * t545
|
|
t571 = cg59 * (0.133450D0 * t546 * t81 + 0.667250D0 * t73 * t549
|
|
# * t80 - 0.266900D0 * t329 * t553 - 0.266900D0 * t490 * t553 + 0.1
|
|
#33450D0 * t73 * t75 * t375 * t559 - 0.66725D-1 * t73 * t159 * t566
|
|
#)
|
|
t573 = t210 ** 2
|
|
t574 = cg59 * t573
|
|
cg9 = t571 * t173 - t574 * t406
|
|
t576 = cg13 ** 2
|
|
cg28 = -0.9950248765D1 * t437 * t91 * t576 + 0.2000000001D1 * t1
|
|
#86 * t576
|
|
exc_norm_drho_norm_drho = t97 * cg28 + rho * cg9
|
|
t586 = 0.1D1 / t57 / 0.3141592654D1
|
|
cg42 = -0.5D1 / 0.54D2 * dble(t4) / t98 / t58 / t102 * t586 / t2
|
|
#18 / t101 + dble(t4) * t217 / t218 / rho / 0.3D1 - dble(t4) * t100
|
|
# * t219 / 0.2D1
|
|
rs2rho = rsrho
|
|
t603 = cg60 * t109
|
|
t611 = 0.3797850000D1 * t111 * rs2rho + 0.35876D1 * rs2rho + 0.2
|
|
#457300000D1 * t12 * rs2rho + 0.985880D0 * t117 * rs2rho
|
|
t612 = t611 * t121
|
|
t618 = t122 * t611
|
|
t628 = -0.1898925000D1 * t240 * rsrho * rs2rho + t245 + t246 + 0
|
|
#.1228650000D1 * t112 * rs2rho + t250 + 0.9858800D0 * rsrho * rs2rh
|
|
#o + t253
|
|
t629 = t628 * t121
|
|
t634 = t120 * t262 * t611
|
|
t652 = rs2rho * t109
|
|
t658 = rs ** 2
|
|
t664 = t240 * cg60
|
|
t686 = 0.2848387500D1 / t12 / t658 * t241 * rs2rho - 0.379785000
|
|
#0D1 * t664 * rsrho - 0.1898925000D1 * t664 * rs2rho + 0.3797850000
|
|
#D1 * t111 * cg42 + 0.35876D1 * cg42 - 0.6143250000D0 * t242 * rs2r
|
|
#ho + 0.2457300000D1 * t244 * rsrho + 0.1228650000D1 * t244 * rs2rh
|
|
#o + 0.2457300000D1 * t12 * cg42 + 0.19717600D1 * cg60 * rsrho + 0.
|
|
#9858800D0 * cg60 * rs2rho + 0.985880D0 * t117 * cg42
|
|
cg7 = -0.1328829340D-1 * cg42 * t23 + 0.2137000000D0 * t603 * t6
|
|
#12 + 0.4274000000D0 * t603 * t122 - 0.8548000000D0 * rsrho * t234
|
|
#* t618 + 0.4274000000D0 * t230 * t629 + 0.6873371714D1 * rsrho * t
|
|
#259 * t634 - 0.4274000000D0 * rs2rho * t234 * t237 + 0.6000000000D
|
|
#1 * t260 * t237 * t611 - 0.4000000000D1 * t235 * t629 * t120 - 0.9
|
|
#649094592D2 * t11 / t258 / t19 * t263 * t611 + 0.2137000000D0 * t6
|
|
#52 * t255 - 0.2000000000D1 * t235 * t255 * t611 + 0.9999999999D0 *
|
|
# t110 * t686 * t121 + 0.1608182432D2 * t260 * t254 * t262 * t611 +
|
|
# 0.3436685857D1 * rs2rho * t259 * t263 + 0.3216364864D2 * t260 * t
|
|
#628 * t262 * t120 + 0.5172501469D3 * t11 / t258 / t108 * t236 / t2
|
|
#61 / t22 * t611
|
|
cg37 = -t229 + 0.2137000000D0 * t230 * t612 + 0.2137000000D0 * t
|
|
#652 * t122 - 0.2000000000D1 * t235 * t618 + 0.9999999999D0 * t110
|
|
#* t629 + 0.1608182432D2 * t260 * t634
|
|
cg64 = cg37
|
|
cg27 = -0.1328829340D-1 * rs2rho * t23 + 0.9999999999D0 * t110 *
|
|
# t612
|
|
cg65 = 0.10D2 / 0.27D2 * dble(t1) / t125 / t101 * t57
|
|
cg44 = kfrho
|
|
t730 = cg1 ** 2
|
|
t738 = t273 * cg14
|
|
t741 = t58 * cg44
|
|
cg46 = -t273 * cg62 * t741 / 0.2D1 + t279
|
|
cg54 = cg46
|
|
cg45 = t129 * cg44 * t5
|
|
t750 = t131 ** 2
|
|
t754 = cg5 * cg0
|
|
t760 = t6 * cg46
|
|
cg41 = -0.3D1 * cg / t750 * t6 * t754 * cg45 - t282 * t285 * cg0
|
|
# + t282 * t760 * cg0 + t282 * t134 * cg54 - t282 * t285 * cg45 - t
|
|
#133 * t224 * cg5 + t133 * t102 * cg46 / 0.2D1 + t282 * t288 * cg45
|
|
# + t133 * t102 * cg20 / 0.2D1 - t133 * t6 * (0.3D1 / 0.4D1 / t62 /
|
|
# t730 / t58 * t274 * t586 * cg44 - t738 * t58 * cg62 - t738 * t741
|
|
# / 0.2D1 + t129 * cg65 * t5) / 0.2D1 - t282 * t291 * cg45 - t133 *
|
|
# t224 * cg0 + t133 * t102 * cg54 / 0.2D1 - t133 * t224 * cg45 - 0.
|
|
#3D1 * t64 * t219
|
|
t797 = t133 * t102 * cg45 / 0.2D1
|
|
cg23 = t282 * t134 * cg45 + t287 - t133 * t760 / 0.2D1 + t797 +
|
|
#t294
|
|
cg43 = t282 * t295 * cg45 + t293 - t133 * t6 * cg54 / 0.2D1 + t7
|
|
#97 + t294
|
|
t2rho = -t133 * t6 * cg45 / 0.2D1 - t136 / 0.2D1
|
|
t806 = t138 ** 2
|
|
t807 = 0.1D1 / t806
|
|
t808 = t140 ** 2
|
|
t824 = t303 * cg55 * cg27
|
|
t852 = cg55 * cg27 * t68
|
|
cg56 = 0.400350D0 * t807 / t808 * cg4 * t303 * t68 * cg55 * cg27
|
|
# + 0.133450D0 * t302 * cg37 * t303 * cg55 - 0.400350D0 * t807 * t3
|
|
#01 * cg4 * t824 + 0.133450D0 * t302 * t304 * cg64 + 0.133450D0 * t
|
|
#302 * cg6 * t303 * cg27 + 0.66725D-1 * t142 * cg7 * t68 - 0.66725D
|
|
#-1 * t311 * cg6 * cg27 * t68 - 0.66725D-1 * t311 * cg37 * cg55 * t
|
|
#68 - 0.66725D-1 * t311 * cg4 * cg64 * t68 + 0.66725D-1 * t807 * t1
|
|
#41 * cg4 * t852
|
|
cg35 = 0.133450D0 * t302 * t304 * cg27 + 0.66725D-1 * t142 * cg3
|
|
#7 * t68 - 0.66725D-1 * t311 * cg4 * cg27 * t68
|
|
cg34 = 0.133450D0 * t302 * t824 + 0.66725D-1 * t142 * cg64 * t68
|
|
# - 0.66725D-1 * t311 * t852
|
|
A2rho = 0.66725D-1 * t142 * cg27 * t68
|
|
t874 = A2rho * t72
|
|
t876 = 0.2D1 * t150 * t2rho
|
|
t877 = t874 + t876
|
|
t878 = t877 * t80
|
|
t879 = t878 * trho
|
|
t882 = t66 * t2rho
|
|
t890 = t874 + t876 + 0.2D1 * t160 * A2rho + 0.4D1 * t164 * t2rho
|
|
t891 = t335 * t890
|
|
t898 = t73 * t153
|
|
t900 = t375 * t335 * t890
|
|
t903 = cg35 * t72
|
|
t905 = 0.2D1 * t346 * t2rho
|
|
t906 = A2rho * t
|
|
t908 = 0.2D1 * t906 * trho
|
|
t909 = A * t2rho
|
|
t911 = 0.2D1 * t909 * trho
|
|
t913 = 0.2D1 * t150 * cg23
|
|
t914 = t903 + t905 + t908 + t911 + t913
|
|
t915 = t914 * t80
|
|
t921 = t882 * t75
|
|
t927 = A2rho * t77
|
|
t930 = Arho * t2rho
|
|
t943 = t903 + t905 + t908 + t911 + t913 + 0.2D1 * t927 * Arho +
|
|
#0.8D1 * t383 * t930 + 0.2D1 * t160 * cg35 + 0.8D1 * t383 * trho *
|
|
#A2rho + 0.12D2 * t392 * trho * t2rho + 0.4D1 * t164 * cg23
|
|
t951 = 0.133450D0 * t318 * t879 + 0.133450D0 * t882 * t339 + 0.2
|
|
#66900D0 * t329 * t375 * trho * t891 + 0.133450D0 * t145 * t325 * c
|
|
#g23 + 0.133450D0 * t898 * t900 + 0.133450D0 * t145 * t915 * t1rho
|
|
#+ 0.133450D0 * t882 * t326 - 0.133450D0 * t921 * t336 + 0.133450D0
|
|
# * t145 * t154 * cg43 + 0.133450D0 * t373 * t375 * t943 * t335 + 0
|
|
#.133450D0 * t73 * t877 * t377
|
|
t956 = cg34 * t72
|
|
t958 = 0.2D1 * t349 * t2rho
|
|
t960 = 0.2D1 * t906 * t1rho
|
|
t962 = 0.2D1 * t909 * t1rho
|
|
t964 = 0.2D1 * t150 * cg43
|
|
t967 = A1rho * t2rho
|
|
t972 = t1rho * A2rho
|
|
t980 = t956 + t958 + t960 + t962 + t964 + 0.2D1 * t927 * A1rho +
|
|
# 0.8D1 * t383 * t967 + 0.2D1 * t160 * cg34 + 0.8D1 * t383 * t972 +
|
|
# 0.12D2 * t392 * t1rho * t2rho + 0.4D1 * t164 * cg43
|
|
t984 = t956 + t958 + t960 + t962 + t964
|
|
t992 = t357 * t158
|
|
t996 = t145 * t877
|
|
t1004 = t145 * t153
|
|
t1006 = t158 * t335 * t2rho
|
|
t1019 = -0.133450D0 * t329 * t158 * cg23 * t335 - 0.66725D-1 * t
|
|
#73 * t361 * t980 - 0.66725D-1 * t73 * t984 * t158 * t167 + 0.13345
|
|
#0D0 * t145 * t358 * t2rho - 0.66725D-1 * t73 * t992 * t890 - 0.133
|
|
#450D0 * t996 * t336 - 0.133450D0 * t996 * t366 - 0.133450D0 * t329
|
|
# * t330 * t980 - 0.133450D0 * t1004 * t1006 + 0.266900D0 * t329 *
|
|
#t376 * t1rho * t890 - 0.133450D0 * t329 * t365 * cg43 - 0.66725D-1
|
|
# * t73 * t369 * t943
|
|
t1021 = t984 * t80
|
|
t1049 = t73 * t324
|
|
t1050 = t376 * t890
|
|
t1053 = t318 * t75
|
|
t1054 = t330 * t890
|
|
t1058 = t158 * t1rho * t890
|
|
t1061 = 0.133450D0 * t145 * t1021 * trho - 0.133450D0 * t921 * t
|
|
#366 + 0.266900D0 * t329 * t376 * t335 * t2rho + 0.133450D0 * t373
|
|
#* t375 * t398 * t890 - 0.66725D-1 * t73 * t914 * t158 * t335 + 0.1
|
|
#33450D0 * t145 * t878 * cg15 - 0.133450D0 * t329 * t158 * cg15 * t
|
|
#890 + 0.133450D0 * t66 * cg43 * t146 + 0.133450D0 * t1049 * t1050
|
|
#- 0.133450D0 * t1053 * t1054 - 0.133450D0 * t1004 * t1058
|
|
t1068 = t145 * t324
|
|
t1071 = t967 * trho
|
|
t1074 = cg21 * t
|
|
t1076 = 0.2D1 * t1074 * t2rho
|
|
t1079 = 0.2D1 * cg35 * t * t1rho
|
|
t1080 = t930 * t1rho
|
|
t1081 = 0.2D1 * t1080
|
|
t1083 = 0.2D1 * t346 * cg43
|
|
t1086 = 0.2D1 * cg34 * t * trho
|
|
t1087 = 0.2D1 * t1071
|
|
t1089 = 0.2D1 * t349 * cg23
|
|
t1090 = t972 * trho
|
|
t1091 = 0.2D1 * t1090
|
|
t1094 = 0.2D1 * A * cg43 * trho
|
|
t1096 = 0.2D1 * t352 * cg23
|
|
t1098 = 0.2D1 * t906 * cg15
|
|
t1100 = 0.2D1 * t909 * cg15
|
|
t1102 = 0.2D1 * t150 * cg41
|
|
t1105 = t76 * t
|
|
t1111 = 0.24D2 * t74 * t1071 + t1076 + t1079 + t1081 + t1083 + t
|
|
#1086 + t1087 + t1089 + t1091 + t1094 + t1096 + t1098 + t1100 + t11
|
|
#02 + 0.24D2 * t74 * t1090 + 0.24D2 * t1105 * t393 * t2rho + 0.24D2
|
|
# * t74 * t1080
|
|
t1112 = cg56 * t72
|
|
t1130 = A2rho * t163
|
|
t1133 = A1rho * t163
|
|
t1159 = t1112 + 0.2D1 * t380 * cg35 + 0.2D1 * t927 * cg21 + 0.4D
|
|
#1 * t164 * cg41 + 0.2D1 * t160 * cg56 + 0.8D1 * t383 * trho * cg34
|
|
# + 0.12D2 * t392 * trho * cg43 + 0.8D1 * t383 * cg23 * A1rho + 0.8
|
|
#D1 * t1130 * t389 + 0.8D1 * t1133 * t930 + 0.12D2 * t392 * cg23 *
|
|
#t1rho + 0.8D1 * t383 * cg35 * t1rho + 0.2D1 * cg34 * t77 * Arho +
|
|
#0.8D1 * t1130 * t384 + 0.12D2 * t392 * cg15 * t2rho + 0.8D1 * t383
|
|
# * Arho * cg43 + 0.8D1 * t383 * cg21 * t2rho + 0.8D1 * t383 * cg15
|
|
# * A2rho
|
|
t1166 = t157 ** 2
|
|
t1167 = 0.1D1 / t1166
|
|
t1172 = t877 * t158
|
|
t1176 = t1112 + t1076 + t1079 + t1081 + t1083 + t1086 + t1087 +
|
|
#t1089 + t1091 + t1094 + t1096 + t1098 + t1100 + t1102
|
|
t1180 = t365 * t2rho
|
|
t1187 = t81 * cg23
|
|
t1194 = 0.133450D0 * t145 * t81 * cg41 + 0.133450D0 * t373 * t37
|
|
#6 * t980 - 0.133450D0 * t1068 * t1054 - 0.66725D-1 * t73 * t159 *
|
|
#(t1111 + t1159) + 0.133450D0 * t882 * t342 - 0.400350D0 * t373 * t
|
|
#1167 * t167 * t891 - 0.66725D-1 * t73 * t1172 * t398 + 0.66725D-1
|
|
#* t73 * t1176 * t80 - 0.133450D0 * t1068 * t1180 - 0.133450D0 * t3
|
|
#29 * t158 * t398 * t2rho + 0.133450D0 * t318 * t1187 - 0.133450D0
|
|
#* t329 * t158 * t943 * t1rho
|
|
t1207 = 0.133450D0 * t145 * t81 * t2rho + 0.66725D-1 * t73 * t87
|
|
#8 - 0.66725D-1 * t73 * t159 * t890
|
|
t1208 = t406 * t1207
|
|
t1236 = 0.133450D0 * t882 * t146 + 0.133450D0 * t145 * t879 - 0.
|
|
#133450D0 * t329 * t1054 + 0.133450D0 * t145 * t1187 + 0.133450D0 *
|
|
# t145 * t154 * t2rho + 0.66725D-1 * t73 * t915 - 0.66725D-1 * t73
|
|
#* t361 * t890 - 0.133450D0 * t329 * t1180 - 0.66725D-1 * t73 * t11
|
|
#72 * t167 + 0.133450D0 * t373 * t1050 - 0.66725D-1 * t73 * t159 *
|
|
#t943
|
|
t1237 = cg59 * t1236
|
|
t1240 = 0.1D1 / t405 / t84
|
|
t1273 = 0.133450D0 * t882 * t407 + 0.133450D0 * t145 * t878 * t1
|
|
#rho - 0.133450D0 * t329 * t1058 + 0.133450D0 * t145 * t81 * cg43 +
|
|
# 0.133450D0 * t145 * t325 * t2rho + 0.66725D-1 * t73 * t1021 - 0.6
|
|
#6725D-1 * t73 * t369 * t890 - 0.133450D0 * t329 * t1006 - 0.66725D
|
|
#-1 * t73 * t1172 * t335 + 0.133450D0 * t373 * t900 - 0.66725D-1 *
|
|
#t73 * t159 * t980
|
|
cg36 = cg65
|
|
kf2rho = cg44
|
|
cg50 = cg61
|
|
cg51 = cg50
|
|
cg49 = -0.3D1 / 0.4D1 * t5 * kf2rho
|
|
t1286 = t177 ** 2
|
|
cg17 = t424 * t180 * kf2rho + t429 / 0.2D1 - t432 + t179 * t102
|
|
#* kf2rho / 0.2D1 + t433
|
|
cg39 = cg17
|
|
s2rho = -t179 * t6 * kf2rho / 0.2D1 - t182 / 0.2D1
|
|
t1324 = t184 ** 2
|
|
t1327 = 0.1D1 / t1324 * t436 * mu
|
|
t1328 = t91 * s
|
|
t1329 = t1327 * t1328
|
|
t1330 = t442 * s2rho
|
|
t1333 = t437 * s
|
|
cg29 = -0.9950248765D1 * t437 * t438 * s2rho + 0.2000000001D1 *
|
|
#t186 * s2rho * srho + 0.2000000001D1 * t186 * s * cg17
|
|
cg30 = -0.9950248765D1 * t437 * t91 * s1rho * s2rho + 0.20000000
|
|
#01D1 * t186 * s2rho * s1rho + 0.2000000001D1 * t186 * s * cg39
|
|
Fx2rho = 0.2000000001D1 * t186 * s * s2rho
|
|
cg52 = cg51 * Fx + cg24 * Fx2rho + cg49 * Fx1rho + cg16 * cg30 +
|
|
# cg50 * Fx + cg12 * Fx2rho + cg61 * Fx - 0.3D1 / 0.4D1 * rho * t5
|
|
#* cg36 * Fx + t453 * Fx2rho + cg12 * Fx1rho + rho * cg50 * Fx1rho
|
|
#+ t190 * cg30 + cg49 * Fxrho + cg16 * cg29 + cg24 * Fxrho + rho *
|
|
#cg51 * Fxrho + t457 * cg29 + cg16 * cg25 + rho * cg49 * cg25 + t97
|
|
# * (0.7425558783D2 * t1329 * t1330 - 0.2985074630D2 * t1333 * t133
|
|
#0 - 0.9950248765D1 * t437 * t91 * cg17 * s1rho - 0.9950248765D1 *
|
|
#t437 * t438 * cg39 + 0.2000000001D1 * t186 * cg39 * srho + 0.20000
|
|
#00001D1 * t186 * s1rho * cg17 - 0.9950248765D1 * t437 * t91 * cg57
|
|
# * s2rho + 0.2000000001D1 * t186 * s2rho * cg57 + 0.2000000001D1 *
|
|
# t186 * s * (-0.3D1 * cg / t1286 * t426 * kf2rho - t424 * t102 * t
|
|
#425 + 0.2D1 * t424 * t430 * kfrho - 0.2D1 * t424 * t428 * kf2rho -
|
|
# 0.2D1 * t179 * t224 * kfrho + 0.3D1 / 0.2D1 * t179 * t102 * cg32
|
|
#+ t424 * t430 * kf2rho - t179 * t6 * cg36 / 0.2D1 - t179 * t224 *
|
|
#kf2rho - 0.3D1 * t89 * t219))
|
|
exc_rho_rho_rho = cg52 + cg64 + cg59 * t1273 * t173 - t418 * t12
|
|
#08 + cg37 + t1237 * t173 - t172 * t1208 + cg10 + rho * (cg7 + cg59
|
|
# * (t951 + t1019 + t1061 + t1194) * t173 - t403 * t1208 - t1237 *
|
|
#t416 + 0.2D1 * t172 * t1240 * t415 * t1207 - t172 * t406 * t1273)
|
|
t1406 = t132 * t102
|
|
cg38 = t281 * t6 * t754 + t1406 * cg5 / 0.2D1 - t460 * cg20 / 0.
|
|
#2D1 + t1406 * cg0 / 0.2D1 + t63 * t224
|
|
cg53 = -t460 * cg0 / 0.2D1 - t462 / 0.2D1
|
|
t1425 = cg33 * A1rho
|
|
t1433 = 0.2D1 * t349 * cg33 + 0.2D1 * t352 * cg33 + 0.2D1 * t150
|
|
# * cg53 + 0.8D1 * t383 * t1425 + 0.12D2 * t392 * cg33 * t1rho + 0.
|
|
#4D1 * t164 * cg53
|
|
t1438 = t197 * Arho
|
|
t1439 = t470 * t335
|
|
t1442 = cg18 * t158
|
|
t1443 = t1442 * t335
|
|
t1446 = Arho * cg53
|
|
t1451 = t167 * t335
|
|
t1455 = t464 * t75
|
|
t1458 = t375 * cg33
|
|
t1459 = t1458 * t1451
|
|
t1477 = 0.133450D0 * t66 * cg15 * t194 + 0.133450D0 * t373 * t37
|
|
#5 * t1433 * t167 - 0.133450D0 * t1438 * t1439 - 0.133450D0 * t490
|
|
#* t1443 + 0.133450D0 * t197 * t1446 * t80 - 0.400350D0 * t373 * t1
|
|
#167 * t206 * t1451 - 0.133450D0 * t1455 * t1439 + 0.266900D0 * t32
|
|
#9 * t1459 - 0.66725D-1 * t73 * t369 * t518 + 0.133450D0 * t373 * t
|
|
#500 * t398 + 0.133450D0 * t145 * t325 * cg18 + 0.133450D0 * t318 *
|
|
# t474 - 0.133450D0 * t329 * t158 * t518 * t1rho
|
|
t1480 = t500 * t335
|
|
t1484 = t478 * t1rho
|
|
t1497 = trho * t335
|
|
t1501 = t81 * cg53
|
|
t1506 = t145 * A
|
|
t1514 = t158 * cg53 * t167
|
|
t1517 = t470 * t398
|
|
t1520 = -0.133450D0 * t329 * t1443 + 0.133450D0 * t898 * t1480 +
|
|
# 0.400350D0 * t73 * Arho * t1484 - 0.66725D-1 * t73 * t361 * t1433
|
|
# + 0.400350D0 * t477 * cg18 * t80 * t1rho + 0.133450D0 * t145 * t3
|
|
#58 * cg33 - 0.400350D0 * t477 * t470 * t1497 + 0.133450D0 * t464 *
|
|
# t1501 - 0.133450D0 * t1068 * t494 + 0.800700D0 * t1506 * t478 * t
|
|
#393 + 0.400350D0 * t73 * A1rho * t479 - 0.133450D0 * t329 * t1514
|
|
#- 0.133450D0 * t490 * t1517
|
|
t1533 = t375 * t518
|
|
t1552 = cg21 * cg33
|
|
t1563 = 0.133450D0 * t197 * A * cg38 * t80 - 0.133450D0 * t197 *
|
|
# A1rho * t471 + 0.400350D0 * t477 * cg53 * t80 * trho + 0.133450D0
|
|
# * t373 * t1533 * t335 - 0.133450D0 * t490 * t1514 - 0.133450D0 *
|
|
#t1004 * t1439 + 0.133450D0 * t145 * t81 * cg38 + 0.266900D0 * t490
|
|
# * t1459 + 0.133450D0 * t145 * t154 * cg53 + 0.400350D0 * t477 * t
|
|
#478 * cg15 + 0.133450D0 * t197 * t1552 * t80 - 0.133450D0 * t329 *
|
|
# t158 * t1433 * trho - 0.133450D0 * t329 * t493 * cg15
|
|
t1564 = t167 * t1rho
|
|
t1571 = t325 * cg33
|
|
t1578 = A1rho * cg18
|
|
t1584 = t384 * cg33
|
|
t1588 = t389 * cg33
|
|
t1627 = 0.2D1 * t1074 * cg33 + 0.2D1 * t1584 + 0.2D1 * t346 * cg
|
|
#53 + 0.2D1 * t1588 + 0.2D1 * A * cg15 * cg33 + 0.2D1 * t506 * cg53
|
|
# + 0.2D1 * t349 * cg18 + 0.2D1 * t352 * cg18 + 0.2D1 * t150 * cg38
|
|
# + 0.8D1 * t1133 * t482 + 0.24D2 * t74 * t1584 + 0.8D1 * t383 * t1
|
|
#446 + 0.8D1 * t383 * t1552 + 0.24D2 * t74 * t1588 + 0.24D2 * t1105
|
|
# * t513 * t1rho + 0.12D2 * t392 * cg53 * trho + 0.12D2 * t392 * cg
|
|
#33 * cg15 + 0.8D1 * t383 * t1578 + 0.12D2 * t392 * cg18 * t1rho +
|
|
#0.4D1 * t164 * cg38
|
|
t1636 = t493 * t1rho
|
|
t1648 = -0.400350D0 * t477 * t470 * t1564 + 0.266900D0 * t329 *
|
|
#t500 * t1497 + 0.133450D0 * t464 * t1571 - 0.133450D0 * t1053 * t4
|
|
#71 - 0.133450D0 * t1053 * t494 + 0.133450D0 * t197 * t1578 * t80 -
|
|
# 0.66725D-1 * t73 * t159 * t1627 - 0.66725D-1 * t73 * t992 * t206
|
|
#+ 0.133450D0 * t1049 * t501 - 0.133450D0 * t1004 * t1636 - 0.13345
|
|
#0D0 * t1068 * t471 + 0.133450D0 * t318 * t467 + 0.266900D0 * t329
|
|
#* t500 * t1564 - 0.133450D0 * t329 * t1517
|
|
t1683 = 0.133450D0 * t318 * t194 + 0.133450D0 * t145 * t1571 - 0
|
|
#.133450D0 * t329 * t1439 + 0.133450D0 * t145 * t1501 + 0.400350D0
|
|
#* t477 * t1484 + 0.133450D0 * t197 * t1425 * t80 + 0.133450D0 * t1
|
|
#97 * A * cg53 * t80 - 0.133450D0 * t490 * t1439 - 0.133450D0 * t32
|
|
#9 * t1636 - 0.66725D-1 * t73 * t369 * t206 + 0.133450D0 * t373 * t
|
|
#1480 - 0.66725D-1 * t73 * t159 * t1433
|
|
t1684 = cg59 * t1683
|
|
t1686 = t1240 * t171
|
|
cg31 = cg47
|
|
t1702 = t536 * s1rho
|
|
t1720 = t91 * cg47
|
|
cg26 = -0.9950248765D1 * t437 * t532 * s1rho + 0.2000000001D1 *
|
|
#t186 * s1rho * cg13 + 0.2000000001D1 * t186 * s * cg31
|
|
exc_norm_drho_rho_rho = cg24 * cg58 + cg16 * cg26 + cg12 * cg58
|
|
#+ t453 * cg58 + t190 * cg26 + cg16 * cg48 + t457 * cg48 + t97 * (0
|
|
#.7425558783D2 * t1329 * t1702 - 0.2985074630D2 * t1333 * t1702 - 0
|
|
#.9950248765D1 * t437 * t91 * cg31 * srho - 0.9950248765D1 * t437 *
|
|
# t532 * cg57 + 0.2000000001D1 * t186 * cg57 * cg13 + 0.2000000001D
|
|
#1 * t186 * srho * cg31 - 0.9950248765D1 * t437 * t1720 * s1rho + 0
|
|
#.2000000001D1 * t186 * s1rho * cg47 + 0.2000000001D1 * t186 * s *
|
|
#(t423 * t6 * t425 + t178 * t102 * kfrho - t528 * cg32 / 0.2D1 + t8
|
|
#8 * t224)) + t1684 * t173 - t211 * t416 + cg19 + rho * (cg59 * (t1
|
|
#477 + t1520 + t1563 + t1648) * t173 - t523 * t416 - t1684 * t525 +
|
|
# 0.2D1 * t211 * t1686 * t415 - t211 * t406 * t402)
|
|
t1747 = t470 * t518
|
|
t1759 = t375 * t559
|
|
t1766 = Arho * t545
|
|
t1786 = t1442 * t206
|
|
t1794 = -0.266900D0 * t490 * t1747 - 0.800700D0 * t477 * t470 *
|
|
#t206 * trho + 0.1334500D1 * t477 * t478 * cg18 - 0.266900D0 * t100
|
|
#4 * t553 + 0.266900D0 * t329 * t1759 * trho + 0.266900D0 * t373 *
|
|
#t1533 * t206 - 0.66725D-1 * t73 * t159 * (0.2D1 * t1766 + 0.4D1 *
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|
#t486 * cg33 + 0.24D2 * t74 * t1766 + 0.24D2 * t1105 * t545 * trho
|
|
#+ 0.24D2 * t392 * cg18 * cg33) - 0.266900D0 * t1455 * t553 - 0.133
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|
#450D0 * t546 * t168 - 0.266900D0 * t490 * t1786 - 0.266900D0 * t32
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#9 * t1786 + 0.266900D0 * t66 * cg18 * t194
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|
t1806 = t500 * cg33 * t167
|
|
t1811 = t545 * t80
|
|
t1815 = t375 * t566
|
|
t1829 = t545 * t158
|
|
t1833 = t1167 * t559
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|
t1837 = 0.133450D0 * t73 * t153 * t375 * t559 - 0.133450D0 * t32
|
|
#9 * t158 * t566 * trho - 0.266900D0 * t1438 * t553 + 0.533800D0 *
|
|
#t329 * t1806 - 0.266900D0 * t329 * t1747 + 0.1334500D1 * t1506 * t
|
|
#1811 * trho + 0.133450D0 * t373 * t1815 * t167 + 0.133450D0 * t546
|
|
# * t154 + 0.533800D0 * t490 * t1806 - 0.66725D-1 * t73 * t361 * t5
|
|
#66 + 0.667250D0 * t73 * t1766 * t80 - 0.667250D0 * t477 * t1829 *
|
|
#t167 - 0.400350D0 * t373 * t1833 * t167
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|
t1842 = t406 * t210
|
|
t1848 = t1328 * t576
|
|
t1852 = s * t576
|
|
exc_norm_drho_norm_drho_rho = cg16 * cg28 + t190 * cg28 + t97 *
|
|
#(0.7425558783D2 * t1327 * t1848 * srho - 0.2985074630D2 * t437 * t
|
|
#1852 * srho - 0.1990049753D2 * t437 * t1720 * cg13 + 0.4000000002D
|
|
#1 * t186 * cg47 * cg13) + cg9 + rho * (cg59 * (t1794 + t1837) * t1
|
|
#73 - t571 * t525 - 0.2D1 * t523 * t1842 + 0.2D1 * t574 * t1686)
|
|
cg63 = cg33
|
|
t1865 = A * cg63
|
|
t1871 = 0.2D1 * t1865 * cg33 + 0.12D2 * t392 * cg33 * cg63
|
|
t1876 = cg63 * t158 * t566
|
|
t1883 = 0.2D1 * t150 * cg63 + 0.4D1 * t164 * cg63
|
|
t1885 = t1458 * t206 * t1883
|
|
t1891 = t158 * t1871 * cg33
|
|
t1910 = t1759 * cg63
|
|
t1913 = t66 * cg63
|
|
t1924 = t159 * t1883
|
|
t1932 = 0.266900D0 * t373 * t500 * t1871 - 0.133450D0 * t490 * t
|
|
#1876 + 0.533800D0 * t490 * t1885 + 0.533800D0 * t329 * t1885 - 0.2
|
|
#66900D0 * t329 * t1891 - 0.266900D0 * t490 * t1891 + 0.133450D0 * </Text-field></Output><Output><Text-field layout="Normal" style="Line Printed Output"> #t373 * t1815 * t1883 - 0.1601400D1 * t197 * t75 * t158 * t76 * t54
|
|
#5 * cg63 - 0.133450D0 * t329 * t1876 + 0.1601400D1 * t1506 * t1811
|
|
# * cg63 + 0.266900D0 * t329 * t1910 - 0.266900D0 * t1913 * t75 * t
|
|
#553 - 0.1334500D1 * t477 * t470 * t206 * cg63 - 0.667250D0 * t477
|
|
#* t1829 * t1883 - 0.133450D0 * t546 * t1924 + 0.266900D0 * t490 *
|
|
#t1910 - 0.400350D0 * t373 * t1833 * t1883
|
|
t1943 = 0.133450D0 * t145 * t81 * cg63 + 0.133450D0 * t197 * t18
|
|
#65 * t80 - 0.66725D-1 * t73 * t1924
|
|
t1951 = t470 * t1883
|
|
t1956 = t493 * cg63
|
|
cg8 = cg13
|
|
exc_norm_drho_norm_drho_norm_drho = t97 * (0.7425558783D2 * t132
|
|
#7 * t1848 * cg8 - 0.2985074630D2 * t437 * t1852 * cg8) + rho * (cg
|
|
#59 * t1932 * t173 - t571 * t406 * t1943 - 0.2D1 * cg59 * (0.133450
|
|
#D0 * t1913 * t194 + 0.667250D0 * t477 * t478 * cg63 - 0.133450D0 *
|
|
# t329 * t1951 - 0.133450D0 * t490 * t1951 - 0.133450D0 * t329 * t1
|
|
#956 - 0.133450D0 * t490 * t1956 + 0.133450D0 * t373 * t500 * t1883
|
|
# - 0.66725D-1 * t73 * t159 * t1871) * t1842 + 0.2D1 * t574 * t1240
|
|
# * t1943)
|
|
cg66 = exc_norm_drho_norm_drho_norm_drho
|
|
return
|
|
end</Text-field></Output></Group></Section></Section><Text-field/><Section><Title><Text-field layout="Heading 1" style="Heading 1">LSD</Text-field></Title><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">loc(eqs_ex_lda)intersect loc(eqs_pbec2);</Text-field></Input><Output><Text-field layout="Maple Output" style="2D Output"><Equation>NiM8I0klYmV0YUc2Ig==</Equation></Text-field></Output></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">loc(eqs_ex_lda);</Text-field></Input><Output><Text-field layout="Maple Output" style="2D Output"><Equation>NiM8Kkkic0c2Ikkma2FwcGFHRiVJI0Z4R0YlSSNrZkdGJUknZXhfbGRhR0YlSShleF91bmlmR0YlSSNtdUdGJUklYmV0YUdGJQ==</Equation></Text-field></Output></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">toRn:=convert(loc(eqs_ex_lda)minus {beta,kappa,mu},list);</Text-field></Input><Output><Text-field layout="Maple Output" style="2D Output"><Equation>NiM+SSV0b1JuRzYiNydJInNHRiVJI0Z4R0YlSSNrZkdGJUknZXhfbGRhR0YlSShleF91bmlmR0Yl</Equation></Text-field></Output></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">eqs_ex_a:=subs(op(map(x->x=x||_a,toRn)),rho=2*rhoa,norm_drho=2*norm_drhoa,eqs_ex_lda);
|
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eqs_ex_b:=subs(op(map(x->x=x||_b,toRn)),rho=2*rhob,norm_drho=2*norm_drhob,eqs_ex_lda);</Text-field></Input><Output><Text-field layout="Maple Output" style="2D Output"><Equation>NiM+SSllcXNfZXhfYUc2IjcqL0kma2FwcGFHRiUkIiQvKSEiJC9JJWJldGFHRiUkIiZEbichIicvSSNtdUdGJSwkKiZGLSIiIkkjUGlHSSpwcm90ZWN0ZWRHRjciIiMjRjUiIiQvSSVrZl9hR0YlKihGOkY5RjhGOSomRjZGOEklcmhvYUdGJUY1RjkvSSpleF91bmlmX2FHRiUsJComRjYhIiJGPEY1I0YrIiIlL0kkc19hR0YlLCQqKEkrbm9ybV9kcmhvYUdGJUY1RjxGREY/RkQjRjVGOC9JJUZ4X2FHRiUsKEY1RjVGKEY1KiZGKEY1LCZGNUY1KihGMkY1RkhGOEYoRkRGNUZERkQvSSlleF9sZGFfYUdGJSwkKihGP0Y1RkFGNUZORjVGOA==</Equation></Text-field></Output><Output><Text-field layout="Maple Output" style="2D Output"><Equation>NiM+SSllcXNfZXhfYkc2IjcqL0kma2FwcGFHRiUkIiQvKSEiJC9JJWJldGFHRiUkIiZEbichIicvSSNtdUdGJSwkKiZGLSIiIkkjUGlHSSpwcm90ZWN0ZWRHRjciIiMjRjUiIiQvSSVrZl9iR0YlKihGOkY5RjhGOSomRjZGOEklcmhvYkdGJUY1RjkvSSpleF91bmlmX2JHRiUsJComRjYhIiJGPEY1I0YrIiIlL0kkc19iR0YlLCQqKEkrbm9ybV9kcmhvYkdGJUY1RjxGREY/RkQjRjVGOC9JJUZ4X2JHRiUsKEY1RjVGKEY1KiZGKEY1LCZGNUY1KihGMkY1RkhGOEYoRkRGNUZERkQvSSlleF9sZGFfYkdGJSwkKihGP0Y1RkFGNUZORjVGOA==</Equation></Text-field></Output></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">unk(eqs_ex_a);
|
|
unk(eqs_ex_b);</Text-field></Input><Output><Text-field layout="Maple Output" style="2D Output"><Equation>NiM8JUklcmhvYUc2IkkjUGlHSSpwcm90ZWN0ZWRHRidJK25vcm1fZHJob2FHRiU=</Equation></Text-field><Text-field layout="Maple Output" style="2D Output"><Equation>NiM8JUklcmhvYkc2IkkjUGlHSSpwcm90ZWN0ZWRHRidJK25vcm1fZHJob2JHRiU=</Equation></Text-field></Output></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">sameNameSameDef(eqs_pbec2,eqs_ex_a);
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sameNameSameDef(eqs_pbec2,eqs_ex_b);
|
|
sameNameSameDef(eqs_ex_a,eqs_ex_b);</Text-field></Input><Output><Text-field layout="Maple Output" style="2D Output"><Equation>NiNJJXRydWVHSSpwcm90ZWN0ZWRHRiQ=</Equation></Text-field><Text-field layout="Maple Output" style="2D Output"><Equation>NiNJJXRydWVHSSpwcm90ZWN0ZWRHRiQ=</Equation></Text-field></Output><Output><Text-field layout="Maple Output" style="2D Output"><Equation>NiNJJXRydWVHSSpwcm90ZWN0ZWRHRiQ=</Equation></Text-field></Output></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">eqs_lsd:=combineEqs([[rho=rhoa+rhob],eqs_pbec2,eqs_ex_a,eqs_ex_b,[scale_ec=1,scale_ex=1,exc=scale_ex*(ex_lda_a+ex_lda_b)/2+scale_ec*ec]]):
|
|
unk(eqs_lsd);</Text-field></Input><Output><Text-field layout="Maple Output" style="2D Output"><Equation>NiM8KEklcmhvYkc2IkklcmhvYUdGJUkjUGlHSSpwcm90ZWN0ZWRHRihJKm5vcm1fZHJob0dGJUkrbm9ybV9kcmhvYUdGJUkrbm9ybV9kcmhvYkdGJQ==</Equation></Text-field></Output></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">arg_lsd_names:=[rhoa,rhob,norm_drho,norm_drhoa,norm_drhob]; </Text-field></Input><Output><Text-field layout="Maple Output" style="2D Output"><Equation>NiM+SS5hcmdfbHNkX25hbWVzRzYiNydJJXJob2FHRiVJJXJob2JHRiVJKm5vcm1fZHJob0dGJUkrbm9ybV9kcmhvYUdGJUkrbm9ybV9kcmhvYkdGJQ==</Equation></Text-field></Output></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">eqs_lsd2:=rmDefs(costanti,eqs_lsd):
|
|
unk(eqs_lsd2);</Text-field></Input><Output><Text-field layout="Maple Output" style="2D Output"><Equation>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</Equation></Text-field></Output></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">deriv_lsd1:=calcDerivs(eqs_lsd2,arg_lsd_names):</Text-field></Input></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">deriv_lsd2:=[seq(seq(op(calcDerivs(deriv_lsd1[i],[arg_lsd_names[j]])),i=1..j),j=1..nops(arg_lsd_names))]:</Text-field></Input></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">#deriv_lsd3:=[seq(seq(op(calcDerivs(deriv_lsd2[i],[arg_lsd_names[j]])),i=1..((j+1)*j/2)),j=1..nops(arg_lsd_names))]:</Text-field></Input></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">n_deriv1:=map(x->lhs(op(-1,x)),deriv_lsd1);
|
|
n_deriv2:=map(x->lhs(op(-1,x)),deriv_lsd2);
|
|
#n_deriv3:=map(x->lhs(op(-1,x)),deriv_lsd3);</Text-field></Input><Output><Text-field layout="Maple Output" style="2D Output"><Equation>NiM+SSluX2Rlcml2MUc2IjcnSSlleGNfcmhvYUdGJUkpZXhjX3Job2JHRiVJLmV4Y19ub3JtX2RyaG9HRiVJL2V4Y19ub3JtX2RyaG9hR0YlSS9leGNfbm9ybV9kcmhvYkdGJQ==</Equation></Text-field><Text-field layout="Maple Output" style="2D Output"><Equation>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</Equation></Text-field></Output></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">'sameNameSameDef(eqs_lsd2,deriv_lsd1[i])'$i=1..nops(deriv_lsd1);
|
|
'sameNameSameDef(eqs_lsd2,deriv_lsd2[i])'$i=1..nops(deriv_lsd1);
|
|
#foldl(`and`,sameNameSameDef(eqs_lsd2,deriv_lsd3[i])$i=1..nops(deriv_lsd3));
|
|
foldl(`and`,seq(sameNameSameDef(deriv_lsd1[i],deriv_lsd2[j])$i=1..nops(deriv_lsd1),j=1..nops(deriv_lsd2)));
|
|
#foldl(`and`,seq(sameNameSameDef(deriv_lsd1[i],deriv_lsd3[j])$i=1..nops(deriv_lsd1),j=1..nops(deriv_lsd3)));
|
|
#foldl(`and`,seq(sameNameSameDef(deriv_lsd2[i],deriv_lsd3[j])$i=1..nops(deriv_lsd2),j=1..nops(deriv_lsd3)));</Text-field></Input><Output><Text-field layout="Maple Output" style="2D Output"><Equation>NidJJXRydWVHSSpwcm90ZWN0ZWRHRiRGI0YjRiNGIw==</Equation></Text-field><Text-field layout="Maple Output" style="2D Output"><Equation>NidJJXRydWVHSSpwcm90ZWN0ZWRHRiRGI0YjRiNGIw==</Equation></Text-field></Output><Output><Text-field layout="Maple Output" style="2D Output"><Equation>NiNJJXRydWVHSSpwcm90ZWN0ZWRHRiQ=</Equation></Text-field></Output></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">eqs_lsd3:=combineEqs([eqs_lsd2,op(deriv_lsd1),op(deriv_lsd2)]): # ,op(deriv_lsd3) # removed 3 deriv</Text-field></Input></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">eqs_lsd4:=enforceDependencies([my_rhoa=rhoa,my_rhob=rhob,
|
|
my_norm_drho=norm_drho,my_norm_drhoa=norm_drhoa,my_norm_drhob=norm_drhob,
|
|
op(subs(rhoa=my_rhoa,rhob=my_rhob,norm_drho=my_norm_drho,
|
|
norm_drhoa=my_norm_drhoa,norm_drhob=my_norm_drhob,eqs_lsd3))]):</Text-field></Input></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">res_eqs_lsd:=[exc,op(n_deriv1),op(n_deriv2)]:#,op(n_deriv3)]: # removed 3 deriv
|
|
res_eqs_lsd2:=[]:
|
|
for my_symb in res_eqs_lsd do
|
|
if not rhs(getDef(my_symb,eqs_lsd4))=0 then
|
|
res_eqs_lsd2:=[op(res_eqs_lsd2),my_symb]:
|
|
end if;
|
|
end do;</Text-field></Input></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">for my_symb in res_eqs_lsd2 do
|
|
print(my_symb,unk([op(eqs_lsd4),result=my_symb]));
|
|
end do;
|
|
my_symb:='my_symb':</Text-field></Input><Output><Text-field layout="Maple Output" style="2D Output"><Equation>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</Equation></Text-field><Text-field layout="Maple Output" style="2D Output"><Equation>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</Equation></Text-field></Output><Output><Text-field layout="Maple Output" style="2D Output"><Equation>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</Equation></Text-field><Text-field layout="Maple Output" style="2D Output"><Equation>NiRJLmV4Y19ub3JtX2RyaG9HNiI8PkklcmhvYkdGJEkqZ2FtbWFfdmFyR0YkSSVyaG9hR0YkSSRBXzJHRiRJJHBfM0dGJEkkQV8zR0YkSSRBXzFHRiRJJHBfMkdGJEkpYmV0YV80XzNHRiRJKWJldGFfM18zR0YkSSphbHBoYV8xXzNHRiRJKWJldGFfMV8zR0YkSSliZXRhXzJfM0dGJEkjUGlHSSpwcm90ZWN0ZWRHRjRJKWJldGFfM18xR0YkSSphbHBoYV8xXzJHRiRJKWJldGFfMV8yR0YkSSliZXRhXzJfMkdGJEkpYmV0YV80XzJHRiRJKWJldGFfM18yR0YkSSliZXRhXzJfMUdGJEkpYmV0YV80XzFHRiRJKm5vcm1fZHJob0dGJEklYmV0YUdGJEkpYmV0YV8xXzFHRiRJKXNjYWxlX2VjR0YkSSRwXzFHRiRJKmFscGhhXzFfMUdGJA==</Equation></Text-field></Output><Output><Text-field layout="Maple Output" style="2D Output"><Equation>NiRJL2V4Y19ub3JtX2RyaG9hRzYiPChJJXJob2FHRiRJJmthcHBhR0YkSSNQaUdJKnByb3RlY3RlZEdGKUkjbXVHRiRJKXNjYWxlX2V4R0YkSStub3JtX2RyaG9hR0Yk</Equation></Text-field><Text-field layout="Maple Output" style="2D Output"><Equation>NiRJL2V4Y19ub3JtX2RyaG9iRzYiPChJJXJob2JHRiRJJmthcHBhR0YkSSNQaUdJKnByb3RlY3RlZEdGKUkjbXVHRiRJKXNjYWxlX2V4R0YkSStub3JtX2RyaG9iR0Yk</Equation></Text-field><Text-field layout="Maple Output" style="2D Output"><Equation>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</Equation></Text-field></Output><Output><Text-field layout="Maple Output" style="2D Output"><Equation>NiRJLmV4Y19yaG9hX3Job2JHNiI8PkklcmhvYkdGJEkqZ2FtbWFfdmFyR0YkSSVyaG9hR0YkSSRBXzJHRiRJJHBfM0dGJEkkQV8zR0YkSSRBXzFHRiRJJHBfMkdGJEkpYmV0YV80XzNHRiRJKWJldGFfM18zR0YkSSphbHBoYV8xXzNHRiRJKWJldGFfMV8zR0YkSSliZXRhXzJfM0dGJEkjUGlHSSpwcm90ZWN0ZWRHRjRJKWJldGFfM18xR0YkSSphbHBoYV8xXzJHRiRJKWJldGFfMV8yR0YkSSliZXRhXzJfMkdGJEkpYmV0YV80XzJHRiRJKWJldGFfM18yR0YkSSliZXRhXzJfMUdGJEkpYmV0YV80XzFHRiRJKm5vcm1fZHJob0dGJEklYmV0YUdGJEkpYmV0YV8xXzFHRiRJKXNjYWxlX2VjR0YkSSRwXzFHRiRJKmFscGhhXzFfMUdGJA==</Equation></Text-field></Output><Output><Text-field layout="Maple Output" style="2D Output"><Equation>NiRJLmV4Y19yaG9iX3Job2JHNiI8QkklcmhvYkdGJEkqZ2FtbWFfdmFyR0YkSSVyaG9hR0YkSSRBXzJHRiRJJHBfM0dGJEkkQV8zR0YkSSZrYXBwYUdGJEkkQV8xR0YkSSRwXzJHRiRJKWJldGFfNF8zR0YkSSliZXRhXzNfM0dGJEkqYWxwaGFfMV8zR0YkSSliZXRhXzFfM0dGJEkpYmV0YV8yXzNHRiRJI1BpR0kqcHJvdGVjdGVkR0Y1SSliZXRhXzNfMUdGJEkqYWxwaGFfMV8yR0YkSSliZXRhXzFfMkdGJEkpYmV0YV8yXzJHRiRJKWJldGFfNF8yR0YkSSliZXRhXzNfMkdGJEkpYmV0YV8yXzFHRiRJKWJldGFfNF8xR0YkSSpub3JtX2RyaG9HRiRJI211R0YkSSViZXRhR0YkSSliZXRhXzFfMUdGJEkpc2NhbGVfZXhHRiRJKXNjYWxlX2VjR0YkSSRwXzFHRiRJKmFscGhhXzFfMUdGJEkrbm9ybV9kcmhvYkdGJA==</Equation></Text-field><Text-field layout="Maple Output" style="2D Output"><Equation>NiRJM2V4Y19yaG9hX25vcm1fZHJob0c2Ijw+SSVyaG9iR0YkSSpnYW1tYV92YXJHRiRJJXJob2FHRiRJJEFfMkdGJEkkcF8zR0YkSSRBXzNHRiRJJEFfMUdGJEkkcF8yR0YkSSliZXRhXzRfM0dGJEkpYmV0YV8zXzNHRiRJKmFscGhhXzFfM0dGJEkpYmV0YV8xXzNHRiRJKWJldGFfMl8zR0YkSSNQaUdJKnByb3RlY3RlZEdGNEkpYmV0YV8zXzFHRiRJKmFscGhhXzFfMkdGJEkpYmV0YV8xXzJHRiRJKWJldGFfMl8yR0YkSSliZXRhXzRfMkdGJEkpYmV0YV8zXzJHRiRJKWJldGFfMl8xR0YkSSliZXRhXzRfMUdGJEkqbm9ybV9kcmhvR0YkSSViZXRhR0YkSSliZXRhXzFfMUdGJEkpc2NhbGVfZWNHRiRJJHBfMUdGJEkqYWxwaGFfMV8xR0Yk</Equation></Text-field></Output><Output><Text-field layout="Maple Output" style="2D Output"><Equation>NiRJM2V4Y19yaG9iX25vcm1fZHJob0c2Ijw+SSVyaG9iR0YkSSpnYW1tYV92YXJHRiRJJXJob2FHRiRJJEFfMkdGJEkkcF8zR0YkSSRBXzNHRiRJJEFfMUdGJEkkcF8yR0YkSSliZXRhXzRfM0dGJEkpYmV0YV8zXzNHRiRJKmFscGhhXzFfM0dGJEkpYmV0YV8xXzNHRiRJKWJldGFfMl8zR0YkSSNQaUdJKnByb3RlY3RlZEdGNEkpYmV0YV8zXzFHRiRJKmFscGhhXzFfMkdGJEkpYmV0YV8xXzJHRiRJKWJldGFfMl8yR0YkSSliZXRhXzRfMkdGJEkpYmV0YV8zXzJHRiRJKWJldGFfMl8xR0YkSSliZXRhXzRfMUdGJEkqbm9ybV9kcmhvR0YkSSViZXRhR0YkSSliZXRhXzFfMUdGJEkpc2NhbGVfZWNHRiRJJHBfMUdGJEkqYWxwaGFfMV8xR0Yk</Equation></Text-field><Text-field layout="Maple Output" style="2D Output"><Equation>NiRJOGV4Y19ub3JtX2RyaG9fbm9ybV9kcmhvRzYiPD5JJXJob2JHRiRJKmdhbW1hX3ZhckdGJEklcmhvYUdGJEkkQV8yR0YkSSRwXzNHRiRJJEFfM0dGJEkkQV8xR0YkSSRwXzJHRiRJKWJldGFfNF8zR0YkSSliZXRhXzNfM0dGJEkqYWxwaGFfMV8zR0YkSSliZXRhXzFfM0dGJEkpYmV0YV8yXzNHRiRJI1BpR0kqcHJvdGVjdGVkR0Y0SSliZXRhXzNfMUdGJEkqYWxwaGFfMV8yR0YkSSliZXRhXzFfMkdGJEkpYmV0YV8yXzJHRiRJKWJldGFfNF8yR0YkSSliZXRhXzNfMkdGJEkpYmV0YV8yXzFHRiRJKWJldGFfNF8xR0YkSSpub3JtX2RyaG9HRiRJJWJldGFHRiRJKWJldGFfMV8xR0YkSSlzY2FsZV9lY0dGJEkkcF8xR0YkSSphbHBoYV8xXzFHRiQ=</Equation></Text-field><Text-field layout="Maple Output" style="2D Output"><Equation>NiRJNGV4Y19yaG9hX25vcm1fZHJob2FHNiI8KEklcmhvYUdGJEkma2FwcGFHRiRJI1BpR0kqcHJvdGVjdGVkR0YpSSNtdUdGJEkpc2NhbGVfZXhHRiRJK25vcm1fZHJob2FHRiQ=</Equation></Text-field><Text-field layout="Maple Output" style="2D Output"><Equation>NiRJOmV4Y19ub3JtX2RyaG9hX25vcm1fZHJob2FHNiI8KEklcmhvYUdGJEkma2FwcGFHRiRJI1BpR0kqcHJvdGVjdGVkR0YpSSNtdUdGJEkpc2NhbGVfZXhHRiRJK25vcm1fZHJob2FHRiQ=</Equation></Text-field></Output><Output><Text-field layout="Maple Output" style="2D Output"><Equation>NiRJNGV4Y19yaG9iX25vcm1fZHJob2JHNiI8KEklcmhvYkdGJEkma2FwcGFHRiRJI1BpR0kqcHJvdGVjdGVkR0YpSSNtdUdGJEkpc2NhbGVfZXhHRiRJK25vcm1fZHJob2JHRiQ=</Equation></Text-field><Text-field layout="Maple Output" style="2D Output"><Equation>NiRJOmV4Y19ub3JtX2RyaG9iX25vcm1fZHJob2JHNiI8KEklcmhvYkdGJEkma2FwcGFHRiRJI1BpR0kqcHJvdGVjdGVkR0YpSSNtdUdGJEkpc2NhbGVfZXhHRiRJK25vcm1fZHJob2JHRiQ=</Equation></Text-field></Output></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">for i from 1 to nops(eqs_lsd3) do
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for j from i+1 to nops(eqs_lsd3) do
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if eqUses(eqs_lsd3[i],eqs_lsd3[j]) then
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print(i,j,eqs_lsd3[i],uses,eqs_lsd3[j]);
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end if;
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end do;
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end do;
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i:='i':j:='j':</Text-field></Input></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">glob_eqs_lsd4:=[my_rhoa,my_rhob,my_norm_drho,my_norm_drhoa,my_norm_drhob,op(res_eqs_lsd2)];
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args_lsd:=[rhoa,rhob,norm_drho,norm_drhoa,norm_drhob];</Text-field></Input><Output><Text-field layout="Maple Output" style="2D Output"><Equation>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</Equation></Text-field><Text-field layout="Maple Output" style="2D Output"><Equation>NiM+SSlhcmdzX2xzZEc2IjcnSSVyaG9hR0YlSSVyaG9iR0YlSSpub3JtX2RyaG9HRiVJK25vcm1fZHJob2FHRiVJK25vcm1fZHJob2JHRiU=</Equation></Text-field></Output></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">cs_eqs_lsd4:=CompSeq(locals=loc2(eqs_lsd4)minus convert(glob_eqs_lsd4,set),
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globals=[op(glob_eqs_lsd4),op(costanti)],params=args_lsd,eqs_lsd4):
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r_eqs_lsd4:=convert(cs_eqs_lsd4,procedure):</Text-field></Input></Group><Section collapsed="true"><Title><Text-field layout="Heading 2" style="Heading 2">Fortran code</Text-field></Title><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">Fortran(r_eqs_lsd4,defaulttype=float,optimize);</Text-field></Input><Output><Text-field layout="Warning" style="Warning">Warning, The following variable name replacements were made: ["cg", "cg0", "cg1", "cg10", "cg11", "cg12", "cg13", "cg14", "cg15", "cg16", "cg17", "cg18", "cg19", "cg2", "cg20", "cg21", "cg22", "cg23", "cg24", "cg25", "cg26", "cg27", "cg28", "cg29", "cg3", "cg30", "cg31", "cg32", "cg33", "cg34", "cg35", "cg36", "cg37", "cg38", "cg39", "cg4", "cg40", "cg41", "cg42", "cg43", "cg44", "cg45", "cg46", "cg47", "cg48", "cg49", "cg5", "cg50", "cg51", "cg52", "cg53", "cg54", "cg55", "cg56", "cg57", "cg58", "cg59", "cg6", "cg60", "cg61", "cg62", "cg63", "cg64", "cg65", "cg66", "cg67", "cg68", "cg69", "cg7", "cg70", "cg71", "cg72", "cg73", "cg74", "cg75", "cg76", "cg77", "cg78", "cg79", "cg8", "cg80", "cg81", "cg82", "cg83", "cg84", "cg85", "cg86", "cg87", "cg88", "cg89", "cg9", "cg90", "cg91", "cg92", "cg93"] = ["norm_drho", "norm_drhoa", "norm_drhob", "e_c_u_0rhoarhob", "rsrhoarhob", "Arhobrhob", "alpha_c1rhoa", "epsilon_c_unifrhoarhob", "phi1rhoa", "s_anorm_drhoa", "e_c_u_0", "ex_unif_arhoa", "alpha_c", "s_b1rhob", "epsilon_c_unif", "k_s", "kf_a", "Fx_a", "kf_b", "Fx_b", "chirhoa", "epsilon_cGGA", "e_c_u_0rhobrhob", "s_a", "s_a1rhoa", "Fx_a1rhoa", "ex_unif_b", "s_b", "Arhoarhoa", "ex_unif_brhob", "rsrhobrhob", "Fx_b1rhob", "frhoarhob", "k_frhoa", "k_srhoa", "epsilon_cGGArhob", "chirhoarhob", "epsilon_c_unifrhoarhoa", "phirhoa", "s_arhoa", "chirhob", "Fx_arhoa", "kf_arhoarhoa", "ex_unif_a1rhoa", "kf_brhobrhob", "ex_unif_b1rhob", "epsilon_c_unifrhob", "trhoanorm_drho", "kf_arhoa", "phirhob", "k_frhob", "k_srhob", "Arhoarhob", "trhoarhob", "Fx_brhob", "rsrhoarhoa", "s_brhob", "epsilon_cGGArhoa", "Hnorm_drho", "frhobrhob", "kf_brhob", "tnorm_drho", "e_c_u_01rhob", "chirhobrhob", "alpha_crhob", "e_c_u_0rhob", "e_c_u_1rhob", "Fx_anorm_drhoa", "epsilon_c_unifrhoa", "s_bnorm_drhob", "Fx_bnorm_drhob", "e_c_u_0rhoarhoa", "alpha_crhoa", "e_c_u_1rhoa", "phirhoarhoa", "e_c_u_0rhoa", "chirhoarhoa", "trhobnorm_drho", "k_s1rhob", "epsilon_c_unif1rhoa", "phirhobrhob", "alpha_c1rhob", "epsilon_c_unif1rhob", "ex_unif_a", "k_frhoarhob", "e_c_u_01rhoa", "trhoarhoa", "k_s1rhoa", "k_frhoarhoa", "phi1rhob", "trhobrhob", "epsilon_c_unifrhobrhob", "phirhoarhob", "frhoarhoa", "r_eqs_lsd4"]
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</Text-field></Output><Output><Text-field layout="Normal" style="Line Printed Output"> doubleprecision function cg93 (rhoa, rhob, cg, cg0, cg1)
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doubleprecision my_rhoa
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doubleprecision my_rhob
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doubleprecision my_norm_drho
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doubleprecision my_norm_drhoa
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doubleprecision my_norm_drhob
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doubleprecision exc
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doubleprecision exc_rhoa
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doubleprecision exc_rhob
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doubleprecision exc_norm_drho
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doubleprecision exc_norm_drhoa
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doubleprecision exc_norm_drhob
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doubleprecision exc_rhoa_rhoa
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doubleprecision exc_rhoa_rhob
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doubleprecision exc_rhob_rhob
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doubleprecision exc_rhoa_norm_drho
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doubleprecision exc_rhob_norm_drho
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doubleprecision exc_norm_drho_norm_drho
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doubleprecision exc_rhoa_norm_drhoa
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doubleprecision exc_norm_drhoa_norm_drhoa
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doubleprecision exc_rhob_norm_drhob
|
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doubleprecision exc_norm_drhob_norm_drhob
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doubleprecision kappa
|
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doubleprecision beta
|
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doubleprecision mu
|
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doubleprecision gamma_var
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doubleprecision p_1
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doubleprecision A_1
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doubleprecision alpha_1_1
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doubleprecision beta_1_1
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doubleprecision beta_2_1
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doubleprecision beta_3_1
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doubleprecision beta_4_1
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doubleprecision p_2
|
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doubleprecision A_2
|
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doubleprecision alpha_1_2
|
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doubleprecision beta_1_2
|
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doubleprecision beta_2_2
|
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doubleprecision beta_3_2
|
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doubleprecision beta_4_2
|
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doubleprecision p_3
|
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doubleprecision A_3
|
|
doubleprecision alpha_1_3
|
|
doubleprecision beta_1_3
|
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doubleprecision beta_2_3
|
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doubleprecision beta_3_3
|
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doubleprecision beta_4_3
|
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doubleprecision scale_ec
|
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doubleprecision scale_ex
|
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common my_rhoa, my_rhob, my_norm_drho, my_norm_drhoa, my_norm_dr
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#hob, exc, exc_rhoa, exc_rhob, exc_norm_drho, exc_norm_drhoa, exc_n
|
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#orm_drhob, exc_rhoa_rhoa, exc_rhoa_rhob, exc_rhob_rhob, exc_rhoa_n
|
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#orm_drho, exc_rhob_norm_drho, exc_norm_drho_norm_drho, exc_rhoa_no
|
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#rm_drhoa, exc_norm_drhoa_norm_drhoa, exc_rhob_norm_drhob, exc_norm
|
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#_drhob_norm_drhob, kappa, beta, mu, gamma_var, p_1, A_1, alpha_1_1
|
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#, beta_1_1, beta_2_1, beta_3_1, beta_4_1, p_2, A_2, alpha_1_2, bet
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#a_1_2, beta_2_2, beta_3_2, beta_4_2, p_3, A_3, alpha_1_3, beta_1_3
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#, beta_2_3, beta_3_3, beta_4_3, scale_ec, scale_ex
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doubleprecision rhoa
|
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doubleprecision rhob
|
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doubleprecision cg
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doubleprecision cg0
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doubleprecision cg1
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doubleprecision t187
|
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doubleprecision t190
|
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doubleprecision t191
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doubleprecision t192
|
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doubleprecision t194
|
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doubleprecision t153
|
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doubleprecision t156
|
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integer t66
|
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doubleprecision t1440
|
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doubleprecision t1550
|
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doubleprecision t1552
|
|
doubleprecision t56
|
|
doubleprecision t57
|
|
doubleprecision t58
|
|
doubleprecision t59
|
|
doubleprecision t1228
|
|
doubleprecision t1231
|
|
doubleprecision cg2
|
|
doubleprecision cg3
|
|
doubleprecision t198
|
|
doubleprecision t199
|
|
doubleprecision t200
|
|
doubleprecision t201
|
|
doubleprecision t205
|
|
doubleprecision t1865
|
|
doubleprecision t1739
|
|
doubleprecision t1765
|
|
doubleprecision t1767
|
|
doubleprecision cg4
|
|
doubleprecision cg5
|
|
doubleprecision cg6
|
|
doubleprecision cg7
|
|
doubleprecision cg8
|
|
doubleprecision t1346
|
|
doubleprecision t1630
|
|
doubleprecision t1501
|
|
doubleprecision t212
|
|
doubleprecision t213
|
|
doubleprecision t215
|
|
doubleprecision t1829
|
|
doubleprecision t211
|
|
doubleprecision t74
|
|
doubleprecision t75
|
|
doubleprecision t1283
|
|
doubleprecision t219
|
|
doubleprecision t220
|
|
doubleprecision t222
|
|
doubleprecision t226
|
|
doubleprecision t221
|
|
doubleprecision t232
|
|
doubleprecision t233
|
|
doubleprecision t234
|
|
doubleprecision t1193
|
|
doubleprecision t240
|
|
doubleprecision t242
|
|
doubleprecision t244
|
|
doubleprecision t245
|
|
doubleprecision t246
|
|
doubleprecision t248
|
|
doubleprecision t249
|
|
doubleprecision t250
|
|
doubleprecision t252
|
|
doubleprecision t254
|
|
doubleprecision t1293
|
|
integer t69
|
|
doubleprecision t12
|
|
doubleprecision t1922
|
|
doubleprecision t1674
|
|
doubleprecision t1677
|
|
doubleprecision t1680
|
|
doubleprecision t256
|
|
doubleprecision t257
|
|
doubleprecision t259
|
|
doubleprecision t262
|
|
doubleprecision t266
|
|
doubleprecision t268
|
|
doubleprecision t269
|
|
doubleprecision t274
|
|
doubleprecision t272
|
|
doubleprecision t273
|
|
doubleprecision t277
|
|
doubleprecision t278
|
|
doubleprecision t280
|
|
doubleprecision t281
|
|
doubleprecision t282
|
|
doubleprecision t284
|
|
doubleprecision t285
|
|
doubleprecision t286
|
|
doubleprecision t289
|
|
doubleprecision t456
|
|
doubleprecision t1462
|
|
doubleprecision t1465
|
|
doubleprecision cg9
|
|
doubleprecision t293
|
|
doubleprecision t294
|
|
doubleprecision t297
|
|
doubleprecision t298
|
|
doubleprecision t302
|
|
doubleprecision t303
|
|
doubleprecision t306
|
|
doubleprecision t299
|
|
doubleprecision t310
|
|
doubleprecision t311
|
|
doubleprecision t312
|
|
doubleprecision t313
|
|
doubleprecision t314
|
|
doubleprecision t317
|
|
doubleprecision t318
|
|
doubleprecision t324
|
|
doubleprecision t325
|
|
doubleprecision t326
|
|
doubleprecision t578
|
|
doubleprecision t321
|
|
doubleprecision t329
|
|
doubleprecision t335
|
|
doubleprecision t337
|
|
doubleprecision t340
|
|
doubleprecision t341
|
|
doubleprecision t344
|
|
doubleprecision t346
|
|
doubleprecision t350
|
|
doubleprecision t368
|
|
doubleprecision t396
|
|
doubleprecision t403
|
|
doubleprecision t405
|
|
doubleprecision t407
|
|
doubleprecision t409
|
|
doubleprecision t410
|
|
doubleprecision t411
|
|
doubleprecision t413
|
|
doubleprecision t415
|
|
doubleprecision t417
|
|
doubleprecision t427
|
|
doubleprecision t429
|
|
doubleprecision t432
|
|
doubleprecision t436
|
|
doubleprecision t1327
|
|
doubleprecision t439
|
|
doubleprecision t442
|
|
doubleprecision t444
|
|
doubleprecision t445
|
|
doubleprecision t453
|
|
doubleprecision t457
|
|
doubleprecision t460
|
|
doubleprecision t466
|
|
doubleprecision t467
|
|
doubleprecision t471
|
|
doubleprecision t468
|
|
doubleprecision t477
|
|
doubleprecision t676
|
|
doubleprecision t481
|
|
doubleprecision t475
|
|
doubleprecision t488
|
|
doubleprecision t1050
|
|
doubleprecision t494
|
|
doubleprecision t493
|
|
doubleprecision t506
|
|
doubleprecision t505
|
|
doubleprecision cg10
|
|
doubleprecision cg11
|
|
doubleprecision t519
|
|
doubleprecision t518
|
|
doubleprecision t525
|
|
doubleprecision t523
|
|
doubleprecision t536
|
|
doubleprecision t538
|
|
doubleprecision t543
|
|
doubleprecision t544
|
|
doubleprecision t548
|
|
doubleprecision t549
|
|
doubleprecision t561
|
|
doubleprecision t556
|
|
doubleprecision t576
|
|
doubleprecision t579
|
|
doubleprecision t563
|
|
doubleprecision t580
|
|
doubleprecision t588
|
|
doubleprecision t1555
|
|
doubleprecision t590
|
|
doubleprecision t595
|
|
doubleprecision t596
|
|
doubleprecision t600
|
|
doubleprecision t611
|
|
doubleprecision t606
|
|
doubleprecision t624
|
|
doubleprecision t626
|
|
doubleprecision t627
|
|
doubleprecision t628
|
|
doubleprecision t1377
|
|
doubleprecision t636
|
|
doubleprecision t638
|
|
doubleprecision t1288
|
|
doubleprecision t643
|
|
doubleprecision t644
|
|
doubleprecision t648
|
|
doubleprecision t659
|
|
doubleprecision t654
|
|
doubleprecision t672
|
|
doubleprecision t1285
|
|
doubleprecision t1286
|
|
doubleprecision t1291
|
|
doubleprecision t674
|
|
doubleprecision t675
|
|
doubleprecision t681
|
|
doubleprecision t687
|
|
doubleprecision t63
|
|
doubleprecision t64
|
|
doubleprecision t705
|
|
doubleprecision t708
|
|
doubleprecision t711
|
|
doubleprecision t1743
|
|
doubleprecision t726
|
|
doubleprecision t733
|
|
doubleprecision t736
|
|
doubleprecision t745
|
|
doubleprecision t750
|
|
doubleprecision t755
|
|
doubleprecision t763
|
|
doubleprecision t767
|
|
doubleprecision t768
|
|
doubleprecision cg12
|
|
doubleprecision t775
|
|
doubleprecision t779
|
|
doubleprecision t776
|
|
doubleprecision t785
|
|
doubleprecision t789
|
|
doubleprecision t795
|
|
doubleprecision t798
|
|
doubleprecision t801
|
|
doubleprecision f1rhoa
|
|
doubleprecision cg13
|
|
doubleprecision cg14
|
|
doubleprecision t812
|
|
doubleprecision t820
|
|
doubleprecision t821
|
|
doubleprecision t822
|
|
doubleprecision t823
|
|
doubleprecision t825
|
|
doubleprecision t828
|
|
doubleprecision t839
|
|
doubleprecision t840
|
|
doubleprecision t851
|
|
doubleprecision cg15
|
|
doubleprecision t858
|
|
doubleprecision t865
|
|
doubleprecision t867
|
|
doubleprecision t1713
|
|
doubleprecision t876
|
|
doubleprecision t879
|
|
doubleprecision t880
|
|
doubleprecision t904
|
|
doubleprecision t914
|
|
doubleprecision t908
|
|
doubleprecision t909
|
|
doubleprecision t911
|
|
doubleprecision t917
|
|
doubleprecision t919
|
|
doubleprecision cg16
|
|
doubleprecision t924
|
|
doubleprecision t936
|
|
doubleprecision t944
|
|
doubleprecision t953
|
|
doubleprecision t959
|
|
doubleprecision t962
|
|
doubleprecision t965
|
|
doubleprecision cg17
|
|
doubleprecision t967
|
|
doubleprecision t966
|
|
doubleprecision t1603
|
|
doubleprecision t985
|
|
doubleprecision t998
|
|
doubleprecision t999
|
|
doubleprecision t1000
|
|
doubleprecision t1001
|
|
doubleprecision t1033
|
|
doubleprecision t1031
|
|
doubleprecision rs
|
|
doubleprecision rho
|
|
doubleprecision chi
|
|
doubleprecision t1038
|
|
doubleprecision t1514
|
|
doubleprecision cg18
|
|
doubleprecision cg19
|
|
doubleprecision cg20
|
|
doubleprecision f
|
|
doubleprecision t1069
|
|
doubleprecision t1071
|
|
doubleprecision phi
|
|
doubleprecision cg21
|
|
doubleprecision t
|
|
doubleprecision A
|
|
doubleprecision cg22
|
|
doubleprecision cg23
|
|
doubleprecision cg24
|
|
doubleprecision cg25
|
|
doubleprecision cg26
|
|
doubleprecision rsrhoa
|
|
doubleprecision cg27
|
|
doubleprecision cg28
|
|
doubleprecision t1104
|
|
doubleprecision t1106
|
|
doubleprecision cg29
|
|
doubleprecision t77
|
|
doubleprecision t78
|
|
doubleprecision t14
|
|
doubleprecision t15
|
|
doubleprecision cg30
|
|
doubleprecision cg31
|
|
doubleprecision t162
|
|
doubleprecision t163
|
|
doubleprecision t164
|
|
doubleprecision t165
|
|
doubleprecision cg32
|
|
doubleprecision t130
|
|
doubleprecision t79
|
|
doubleprecision t80
|
|
doubleprecision cg33
|
|
doubleprecision cg34
|
|
doubleprecision cg35
|
|
doubleprecision t305
|
|
doubleprecision t1741
|
|
doubleprecision t1640
|
|
doubleprecision t18
|
|
doubleprecision t82
|
|
doubleprecision cg36
|
|
doubleprecision t682
|
|
doubleprecision t84
|
|
doubleprecision t85
|
|
doubleprecision t112
|
|
doubleprecision t113
|
|
doubleprecision t115
|
|
doubleprecision t116
|
|
doubleprecision t118
|
|
doubleprecision t119
|
|
doubleprecision t123
|
|
doubleprecision t20
|
|
doubleprecision t21
|
|
doubleprecision t22
|
|
doubleprecision t23
|
|
doubleprecision cg37
|
|
doubleprecision t27
|
|
doubleprecision t28
|
|
doubleprecision t564
|
|
doubleprecision t1520
|
|
doubleprecision t167
|
|
doubleprecision t171
|
|
doubleprecision t1830
|
|
doubleprecision t1831
|
|
doubleprecision frhoa
|
|
doubleprecision cg38
|
|
doubleprecision cg39
|
|
doubleprecision trhoa
|
|
doubleprecision Arhoa
|
|
doubleprecision t1748
|
|
doubleprecision t1871
|
|
doubleprecision t1876
|
|
doubleprecision cg40
|
|
doubleprecision cg41
|
|
doubleprecision cg42
|
|
doubleprecision t122
|
|
doubleprecision t1330
|
|
doubleprecision t1rhoa
|
|
doubleprecision t32
|
|
doubleprecision t868
|
|
doubleprecision cg43
|
|
doubleprecision cg44
|
|
doubleprecision rsrhob
|
|
doubleprecision cg45
|
|
integer t124
|
|
doubleprecision t125
|
|
doubleprecision t126
|
|
doubleprecision t129
|
|
doubleprecision t131
|
|
doubleprecision cg46
|
|
doubleprecision cg47
|
|
doubleprecision t1411
|
|
doubleprecision t34
|
|
doubleprecision t87
|
|
doubleprecision t88
|
|
doubleprecision cg48
|
|
doubleprecision cg49
|
|
doubleprecision cg50
|
|
doubleprecision t1632
|
|
doubleprecision t1635
|
|
doubleprecision t1638
|
|
doubleprecision cg51
|
|
doubleprecision t1698
|
|
doubleprecision t550
|
|
doubleprecision t1801
|
|
doubleprecision t90
|
|
doubleprecision t91
|
|
doubleprecision t1766
|
|
doubleprecision t1529
|
|
doubleprecision frhob
|
|
doubleprecision cg52
|
|
doubleprecision cg53
|
|
doubleprecision cg54
|
|
doubleprecision trhob
|
|
doubleprecision t38
|
|
doubleprecision f1rhob
|
|
doubleprecision t1164
|
|
doubleprecision A1rhoa
|
|
doubleprecision cg55
|
|
doubleprecision cg56
|
|
doubleprecision t1949
|
|
doubleprecision cg57
|
|
doubleprecision t1588
|
|
doubleprecision t1590
|
|
doubleprecision t1591
|
|
doubleprecision t175
|
|
doubleprecision t176
|
|
doubleprecision t177
|
|
doubleprecision t178
|
|
doubleprecision t179
|
|
doubleprecision t183
|
|
doubleprecision Arhob
|
|
doubleprecision t382
|
|
doubleprecision t39
|
|
doubleprecision t92
|
|
doubleprecision t93
|
|
doubleprecision t94
|
|
doubleprecision cg58
|
|
doubleprecision cg59
|
|
doubleprecision cg60
|
|
doubleprecision cg61
|
|
doubleprecision cg62
|
|
doubleprecision t40
|
|
doubleprecision t41
|
|
doubleprecision cg63
|
|
doubleprecision t1482
|
|
doubleprecision cg64
|
|
doubleprecision cg65
|
|
doubleprecision cg66
|
|
doubleprecision cg67
|
|
doubleprecision cg68
|
|
doubleprecision t95
|
|
doubleprecision t96
|
|
doubleprecision cg69
|
|
doubleprecision cg70
|
|
doubleprecision cg71
|
|
doubleprecision cg72
|
|
doubleprecision cg73
|
|
doubleprecision t1
|
|
doubleprecision cg74
|
|
doubleprecision t100
|
|
doubleprecision t101
|
|
doubleprecision t102
|
|
doubleprecision t1599
|
|
doubleprecision t1602
|
|
doubleprecision cg75
|
|
doubleprecision cg76
|
|
doubleprecision cg77
|
|
doubleprecision t97
|
|
doubleprecision t98
|
|
doubleprecision t1888
|
|
doubleprecision t70
|
|
doubleprecision t71
|
|
doubleprecision t45
|
|
doubleprecision t46
|
|
doubleprecision t336
|
|
doubleprecision cg78
|
|
doubleprecision cg79
|
|
doubleprecision cg80
|
|
doubleprecision cg81
|
|
doubleprecision cg82
|
|
doubleprecision cg83
|
|
doubleprecision cg84
|
|
doubleprecision t133
|
|
doubleprecision t135
|
|
doubleprecision t137
|
|
doubleprecision t140
|
|
doubleprecision t2
|
|
integer t3
|
|
doubleprecision t472
|
|
doubleprecision t502
|
|
doubleprecision t1711
|
|
doubleprecision t1712
|
|
doubleprecision t1rhob
|
|
doubleprecision t50
|
|
doubleprecision cg85
|
|
doubleprecision cg86
|
|
doubleprecision cg87
|
|
doubleprecision t52
|
|
doubleprecision t1269
|
|
doubleprecision t1342
|
|
doubleprecision t1489
|
|
doubleprecision t1492
|
|
integer t4
|
|
integer t5
|
|
integer t6
|
|
doubleprecision t1901
|
|
doubleprecision t72
|
|
doubleprecision t73
|
|
doubleprecision cg88
|
|
doubleprecision A1rhob
|
|
doubleprecision cg89
|
|
doubleprecision t142
|
|
doubleprecision t143
|
|
doubleprecision t7
|
|
doubleprecision t8
|
|
doubleprecision t9
|
|
doubleprecision cg90
|
|
doubleprecision t103
|
|
doubleprecision t104
|
|
doubleprecision t105
|
|
doubleprecision t107
|
|
doubleprecision t108
|
|
doubleprecision t110
|
|
doubleprecision t111
|
|
doubleprecision cg91
|
|
doubleprecision t1304
|
|
doubleprecision t146
|
|
doubleprecision t147
|
|
doubleprecision t148
|
|
doubleprecision t150
|
|
doubleprecision cg92
|
|
my_rhoa = rhoa
|
|
my_rhob = rhob
|
|
my_norm_drho = cg
|
|
my_norm_drhoa = cg0
|
|
my_norm_drhob = cg1
|
|
rho = rhoa + rhob
|
|
t1 = rhoa - rhob
|
|
t2 = 0.1D1 / rho
|
|
chi = t1 * t2
|
|
t3 = 3 ** (0.1D1 / 0.3D1)
|
|
t4 = 4 ** (0.1D1 / 0.3D1)
|
|
t5 = t4 ** 2
|
|
t6 = t3 * t5
|
|
t7 = 0.1D1 / 0.3141592654D1
|
|
t8 = t7 * t2
|
|
t9 = t8 ** (0.1D1 / 0.3D1)
|
|
rs = dble(t6) * t9 / 0.4D1
|
|
t12 = 0.1D1 + alpha_1_1 * rs
|
|
t14 = 0.1D1 / A_1
|
|
t15 = sqrt(rs)
|
|
t18 = t15 * rs
|
|
t20 = p_1 + 0.1D1
|
|
t21 = rs ** t20
|
|
t22 = beta_4_1 * t21
|
|
t23 = beta_1_1 * t15 + beta_2_1 * rs + beta_3_1 * t18 + t22
|
|
t27 = 0.1D1 + t14 / t23 / 0.2D1
|
|
t28 = log(t27)
|
|
cg17 = -0.2D1 * A_1 * t12 * t28
|
|
t32 = 0.1D1 + alpha_1_2 * rs
|
|
t34 = 0.1D1 / A_2
|
|
t38 = p_2 + 0.1D1
|
|
t39 = rs ** t38
|
|
t40 = beta_4_2 * t39
|
|
t41 = beta_1_2 * t15 + beta_2_2 * rs + beta_3_2 * t18 + t40
|
|
t45 = 0.1D1 + t34 / t41 / 0.2D1
|
|
t46 = log(t45)
|
|
t50 = 0.1D1 + alpha_1_3 * rs
|
|
t52 = 0.1D1 / A_3
|
|
t56 = p_3 + 0.1D1
|
|
t57 = rs ** t56
|
|
t58 = beta_4_3 * t57
|
|
t59 = beta_1_3 * t15 + beta_2_3 * rs + beta_3_3 * t18 + t58
|
|
t63 = 0.1D1 + t52 / t59 / 0.2D1
|
|
t64 = log(t63)
|
|
cg19 = 0.2D1 * A_3 * t50 * t64
|
|
t66 = 2 ** (0.1D1 / 0.3D1)
|
|
t69 = 1 / (2 * t66 - 2)
|
|
t70 = 0.1D1 + chi
|
|
t71 = t70 ** (0.1D1 / 0.3D1)
|
|
t72 = t71 * t70
|
|
t73 = 0.1D1 - chi
|
|
t74 = t73 ** (0.1D1 / 0.3D1)
|
|
t75 = t74 * t73
|
|
f = (t72 + t75 - 0.2D1) * dble(t69)
|
|
t77 = cg19 * f
|
|
t78 = 0.9D1 / 0.8D1 / dble(t69)
|
|
t79 = chi ** 2
|
|
t80 = t79 ** 2
|
|
t82 = t78 * (0.1D1 - t80)
|
|
t84 = -0.2D1 * A_2 * t32 * t46 - cg17
|
|
t85 = t84 * f
|
|
cg20 = cg17 + t77 * t82 + t85 * t80
|
|
t87 = t71 ** 2
|
|
t88 = t74 ** 2
|
|
phi = t87 / 0.2D1 + t88 / 0.2D1
|
|
t90 = 0.3141592654D1 ** 2
|
|
t91 = t90 * rho
|
|
t92 = t91 ** (0.1D1 / 0.3D1)
|
|
t93 = dble(t3) * t92 * t7
|
|
t94 = sqrt(t93)
|
|
cg21 = 0.2D1 * t94
|
|
t95 = 0.1D1 / phi
|
|
t96 = cg * t95
|
|
t97 = 0.1D1 / cg21
|
|
t98 = t97 * t2
|
|
t = t96 * t98 / 0.2D1
|
|
t100 = 0.1D1 / gamma_var
|
|
t101 = beta * t100
|
|
t102 = cg20 * t100
|
|
t103 = phi ** 2
|
|
t104 = t103 * phi
|
|
t105 = 0.1D1 / t104
|
|
t107 = exp(-t102 * t105)
|
|
t108 = t107 - 0.1D1
|
|
A = t101 / t108
|
|
t110 = gamma_var * t104
|
|
t111 = t ** 2
|
|
t112 = A * t111
|
|
t113 = 0.1D1 + t112
|
|
t115 = A ** 2
|
|
t116 = t111 ** 2
|
|
t118 = 0.1D1 + t112 + t115 * t116
|
|
t119 = 0.1D1 / t118
|
|
t122 = 0.1D1 + t101 * t111 * t113 * t119
|
|
t123 = log(t122)
|
|
cg27 = cg20 + t110 * t123
|
|
t124 = t3 * t66
|
|
t125 = t90 * rhoa
|
|
t126 = t125 ** (0.1D1 / 0.3D1)
|
|
cg22 = dble(t124) * t126
|
|
cg83 = -0.3D1 / 0.4D1 * t7 * cg22
|
|
t129 = 0.1D1 / cg22
|
|
t130 = cg0 * t129
|
|
t131 = 0.1D1 / rhoa
|
|
cg29 = t130 * t131 / 0.2D1
|
|
t133 = cg29 ** 2
|
|
t135 = 0.1D1 / kappa
|
|
t137 = 0.1D1 + mu * t133 * t135
|
|
cg23 = 0.1D1 + kappa - kappa / t137
|
|
t140 = rhoa * cg83
|
|
t142 = t90 * rhob
|
|
t143 = t142 ** (0.1D1 / 0.3D1)
|
|
cg24 = dble(t124) * t143
|
|
cg31 = -0.3D1 / 0.4D1 * t7 * cg24
|
|
t146 = 0.1D1 / cg24
|
|
t147 = cg1 * t146
|
|
t148 = 0.1D1 / rhob
|
|
cg32 = t147 * t148 / 0.2D1
|
|
t150 = cg32 ** 2
|
|
t153 = 0.1D1 + mu * t150 * t135
|
|
cg25 = 0.1D1 + kappa - kappa / t153
|
|
t156 = rhob * cg31
|
|
exc = scale_ex * (0.2D1 * t140 * cg23 + 0.2D1 * t156 * cg25) / 0
|
|
#.2D1 + scale_ec * rho * cg27
|
|
t162 = rho ** 2
|
|
t163 = 0.1D1 / t162
|
|
t164 = t1 * t163
|
|
cg26 = t2 - t164
|
|
t165 = t9 ** 2
|
|
t167 = 0.1D1 / t165 * t7
|
|
rsrhoa = -dble(t6) * t167 * t163 / 0.12D2
|
|
t171 = A_1 * alpha_1_1
|
|
t175 = t23 ** 2
|
|
t176 = 0.1D1 / t175
|
|
t177 = t12 * t176
|
|
t178 = 0.1D1 / t15
|
|
t179 = beta_1_1 * t178
|
|
t183 = beta_3_1 * t15
|
|
t187 = 0.1D1 / rs
|
|
t190 = t179 * rsrhoa / 0.2D1 + beta_2_1 * rsrhoa + 0.3D1 / 0.2D1
|
|
# * t183 * rsrhoa + t22 * t20 * rsrhoa * t187
|
|
t191 = 0.1D1 / t27
|
|
t192 = t190 * t191
|
|
cg76 = -0.2D1 * t171 * rsrhoa * t28 + t177 * t192
|
|
t194 = A_2 * alpha_1_2
|
|
t198 = t41 ** 2
|
|
t199 = 0.1D1 / t198
|
|
t200 = t32 * t199
|
|
t201 = beta_1_2 * t178
|
|
t205 = beta_3_2 * t15
|
|
t211 = t201 * rsrhoa / 0.2D1 + beta_2_2 * rsrhoa + 0.3D1 / 0.2D1
|
|
# * t205 * rsrhoa + t40 * t38 * rsrhoa * t187
|
|
t212 = 0.1D1 / t45
|
|
t213 = t211 * t212
|
|
cg74 = -0.2D1 * t194 * rsrhoa * t46 + t200 * t213
|
|
t215 = A_3 * alpha_1_3
|
|
t219 = t59 ** 2
|
|
t220 = 0.1D1 / t219
|
|
t221 = t50 * t220
|
|
t222 = beta_1_3 * t178
|
|
t226 = beta_3_3 * t15
|
|
t232 = t222 * rsrhoa / 0.2D1 + beta_2_3 * rsrhoa + 0.3D1 / 0.2D1
|
|
# * t226 * rsrhoa + t58 * t56 * rsrhoa * t187
|
|
t233 = 0.1D1 / t63
|
|
t234 = t232 * t233
|
|
cg73 = 0.2D1 * t215 * rsrhoa * t64 - t221 * t234
|
|
frhoa = (0.4D1 / 0.3D1 * t71 * cg26 - 0.4D1 / 0.3D1 * t74 * cg26
|
|
#) * dble(t69)
|
|
t240 = cg73 * f
|
|
t242 = cg19 * frhoa
|
|
t244 = t79 * chi
|
|
t245 = t78 * t244
|
|
t246 = t245 * cg26
|
|
t248 = 0.4D1 * t77 * t246
|
|
t249 = cg74 - cg76
|
|
t250 = t249 * f
|
|
t252 = t84 * frhoa
|
|
t254 = t244 * cg26
|
|
t256 = 0.4D1 * t85 * t254
|
|
cg7 = cg76 + t240 * t82 + t242 * t82 - t248 + t250 * t80 + t252
|
|
#* t80 + t256
|
|
t257 = 0.1D1 / t71
|
|
t259 = 0.1D1 / t74
|
|
cg42 = t257 * cg26 / 0.3D1 - t259 * cg26 / 0.3D1
|
|
t262 = t92 ** 2
|
|
cg38 = dble(t3) / t262 * t90 / 0.3D1
|
|
t266 = 0.1D1 / t94
|
|
cg39 = t266 * cg38 * t7
|
|
t268 = 0.1D1 / t103
|
|
t269 = cg * t268
|
|
t272 = cg21 ** 2
|
|
t273 = 0.1D1 / t272
|
|
t274 = t273 * t2
|
|
t277 = t97 * t163
|
|
t278 = t96 * t277
|
|
trhoa = -t269 * t98 * cg42 / 0.2D1 - t96 * t274 * cg39 / 0.2D1 -
|
|
# t278 / 0.2D1
|
|
t280 = t108 ** 2
|
|
t281 = 0.1D1 / t280
|
|
t282 = cg7 * t100
|
|
t284 = t103 ** 2
|
|
t285 = 0.1D1 / t284
|
|
t286 = t285 * cg42
|
|
t289 = -t282 * t105 + 0.3D1 * t102 * t286
|
|
Arhoa = -t101 * t281 * t289 * t107
|
|
t293 = gamma_var * t103
|
|
t294 = t123 * cg42
|
|
t297 = t101 * t
|
|
t298 = t113 * t119
|
|
t299 = t298 * trhoa
|
|
t302 = Arhoa * t111
|
|
t303 = A * t
|
|
t305 = 0.2D1 * t303 * trhoa
|
|
t306 = t302 + t305
|
|
t310 = t101 * t111
|
|
t311 = t118 ** 2
|
|
t312 = 0.1D1 / t311
|
|
t313 = t113 * t312
|
|
t314 = A * t116
|
|
t317 = t111 * t
|
|
t318 = t115 * t317
|
|
t321 = t302 + t305 + 0.2D1 * t314 * Arhoa + 0.4D1 * t318 * trhoa
|
|
t324 = 0.2D1 * t297 * t299 + t101 * t111 * t306 * t119 - t310 *
|
|
#t313 * t321
|
|
t325 = 0.1D1 / t122
|
|
t326 = t324 * t325
|
|
cg6 = cg7 + 0.3D1 * t293 * t294 + t110 * t326
|
|
t329 = t126 ** 2
|
|
cg51 = dble(t124) / t329 * t90 / 0.3D1
|
|
cg18 = -0.3D1 / 0.4D1 * t7 * cg51
|
|
t335 = cg22 ** 2
|
|
t336 = 0.1D1 / t335
|
|
t337 = cg0 * t336
|
|
t340 = rhoa ** 2
|
|
t341 = 0.1D1 / t340
|
|
cg43 = -t337 * t131 * cg51 / 0.2D1 - t130 * t341 / 0.2D1
|
|
t344 = t137 ** 2
|
|
t346 = 0.1D1 / t344 * mu
|
|
cg45 = 0.2D1 * t346 * cg29 * cg43
|
|
t350 = rhoa * cg18
|
|
exc_rhoa = scale_ex * (0.2D1 * cg83 * cg23 + 0.2D1 * t350 * cg23
|
|
# + 0.2D1 * t140 * cg45) / 0.2D1 + scale_ec * (cg27 + rho * cg6)
|
|
cg44 = -t2 - t164
|
|
rsrhob = rsrhoa
|
|
t368 = t179 * rsrhob / 0.2D1 + beta_2_1 * rsrhob + 0.3D1 / 0.2D1
|
|
# * t183 * rsrhob + t22 * t20 * rsrhob * t187
|
|
cg67 = -0.2D1 * t171 * rsrhob * t28 + t177 * t368 * t191
|
|
t382 = t201 * rsrhob / 0.2D1 + beta_2_2 * rsrhob + 0.3D1 / 0.2D1
|
|
# * t205 * rsrhob + t40 * t38 * rsrhob * t187
|
|
cg68 = -0.2D1 * t194 * rsrhob * t46 + t200 * t382 * t212
|
|
t396 = t222 * rsrhob / 0.2D1 + beta_2_3 * rsrhob + 0.3D1 / 0.2D1
|
|
# * t226 * rsrhob + t58 * t56 * rsrhob * t187
|
|
cg66 = 0.2D1 * t215 * rsrhob * t64 - t221 * t396 * t233
|
|
frhob = (0.4D1 / 0.3D1 * t71 * cg44 - 0.4D1 / 0.3D1 * t74 * cg44
|
|
#) * dble(t69)
|
|
t403 = cg66 * f
|
|
t405 = cg19 * frhob
|
|
t407 = t245 * cg44
|
|
t409 = 0.4D1 * t77 * t407
|
|
t410 = cg68 - cg67
|
|
t411 = t410 * f
|
|
t413 = t84 * frhob
|
|
t415 = t244 * cg44
|
|
t417 = 0.4D1 * t85 * t415
|
|
cg5 = cg67 + t403 * t82 + t405 * t82 - t409 + t411 * t80 + t413
|
|
#* t80 + t417
|
|
cg52 = t257 * cg44 / 0.3D1 - t259 * cg44 / 0.3D1
|
|
cg53 = cg38
|
|
cg54 = t266 * cg53 * t7
|
|
trhob = -t269 * t98 * cg52 / 0.2D1 - t96 * t274 * cg54 / 0.2D1 -
|
|
# t278 / 0.2D1
|
|
t427 = cg5 * t100
|
|
t429 = t285 * cg52
|
|
t432 = -t427 * t105 + 0.3D1 * t102 * t429
|
|
Arhob = -t101 * t281 * t432 * t107
|
|
t436 = t123 * cg52
|
|
t439 = t298 * trhob
|
|
t442 = Arhob * t111
|
|
t444 = 0.2D1 * t303 * trhob
|
|
t445 = t442 + t444
|
|
t453 = t442 + t444 + 0.2D1 * t314 * Arhob + 0.4D1 * t318 * trhob
|
|
t456 = 0.2D1 * t297 * t439 + t101 * t111 * t445 * t119 - t310 *
|
|
#t313 * t453
|
|
t457 = t456 * t325
|
|
cg4 = cg5 + 0.3D1 * t293 * t436 + t110 * t457
|
|
t460 = t143 ** 2
|
|
cg62 = dble(t124) / t460 * t90 / 0.3D1
|
|
cg34 = -0.3D1 / 0.4D1 * t7 * cg62
|
|
t466 = cg24 ** 2
|
|
t467 = 0.1D1 / t466
|
|
t468 = cg1 * t467
|
|
t471 = rhob ** 2
|
|
t472 = 0.1D1 / t471
|
|
cg59 = -t468 * t148 * cg62 / 0.2D1 - t147 * t472 / 0.2D1
|
|
t475 = t153 ** 2
|
|
t477 = 0.1D1 / t475 * mu
|
|
cg57 = 0.2D1 * t477 * cg32 * cg59
|
|
t481 = rhob * cg34
|
|
exc_rhob = scale_ex * (0.2D1 * cg31 * cg25 + 0.2D1 * t481 * cg25
|
|
# + 0.2D1 * t156 * cg57) / 0.2D1 + scale_ec * (cg27 + rho * cg4)
|
|
t488 = t95 * t97
|
|
cg63 = t488 * t2 / 0.2D1
|
|
t493 = t101 * t317
|
|
t494 = A * cg63
|
|
t502 = 0.2D1 * t303 * cg63 + 0.4D1 * t318 * cg63
|
|
t505 = 0.2D1 * t297 * t298 * cg63 + 0.2D1 * t493 * t494 * t119 -
|
|
# t310 * t313 * t502
|
|
t506 = t505 * t325
|
|
cg60 = t110 * t506
|
|
exc_norm_drho = scale_ec * rho * cg60
|
|
cg16 = t129 * t131 / 0.2D1
|
|
cg69 = 0.2D1 * t346 * cg29 * cg16
|
|
exc_norm_drhoa = scale_ex * t140 * cg69
|
|
cg70 = t146 * t148 / 0.2D1
|
|
cg71 = 0.2D1 * t477 * cg32 * cg70
|
|
exc_norm_drhob = scale_ex * t156 * cg71
|
|
t518 = 0.1D1 / t162 / rho</Text-field></Output><Output><Text-field layout="Normal" style="Line Printed Output"> t519 = t1 * t518
|
|
cg77 = -0.2D1 * t163 + 0.2D1 * t519
|
|
t523 = 0.1D1 / t90
|
|
t525 = t162 ** 2
|
|
cg58 = -dble(t6) / t165 / t8 * t523 / t525 / 0.18D2 + dble(t6) *
|
|
# t167 * t518 / 0.6D1
|
|
t536 = alpha_1_1 * rsrhoa
|
|
t538 = t176 * t190 * t191
|
|
t543 = t12 / t175 / t23
|
|
t544 = t190 ** 2
|
|
t548 = 0.1D1 / t18
|
|
t549 = beta_1_1 * t548
|
|
t550 = rsrhoa ** 2
|
|
t556 = beta_3_1 * t178
|
|
t561 = t20 ** 2
|
|
t563 = rs ** 2
|
|
t564 = 0.1D1 / t563
|
|
t576 = t175 ** 2
|
|
t578 = t12 / t576
|
|
t579 = t27 ** 2
|
|
t580 = 0.1D1 / t579
|
|
cg72 = -0.2D1 * t171 * cg58 * t28 + 0.2D1 * t536 * t538 - 0.2D1
|
|
#* t543 * t544 * t191 + t177 * (-t549 * t550 / 0.4D1 + t179 * cg58
|
|
#/ 0.2D1 + beta_2_1 * cg58 + 0.3D1 / 0.4D1 * t556 * t550 + 0.3D1 /
|
|
#0.2D1 * t183 * cg58 + t22 * t561 * t550 * t564 + t22 * t20 * cg58
|
|
#* t187 - t22 * t20 * t550 * t564) * t191 + t578 * t544 * t580 * t1
|
|
#4 / 0.2D1
|
|
cg85 = cg76
|
|
t588 = alpha_1_2 * rsrhoa
|
|
t590 = t199 * t211 * t212
|
|
t595 = t32 / t198 / t41
|
|
t596 = t211 ** 2
|
|
t600 = beta_1_2 * t548
|
|
t606 = beta_3_2 * t178
|
|
t611 = t38 ** 2
|
|
t624 = t198 ** 2
|
|
t626 = t32 / t624
|
|
t627 = t45 ** 2
|
|
t628 = 0.1D1 / t627
|
|
t636 = alpha_1_3 * rsrhoa
|
|
t638 = t220 * t232 * t233
|
|
t643 = t50 / t219 / t59
|
|
t644 = t232 ** 2
|
|
t648 = beta_1_3 * t548
|
|
t654 = beta_3_3 * t178
|
|
t659 = t56 ** 2
|
|
t672 = t219 ** 2
|
|
t674 = t50 / t672
|
|
t675 = t63 ** 2
|
|
t676 = 0.1D1 / t675
|
|
cg13 = cg73
|
|
t681 = 0.1D1 / t87
|
|
t682 = cg26 ** 2
|
|
t687 = 0.1D1 / t88
|
|
cg92 = (0.4D1 / 0.9D1 * t681 * t682 + 0.4D1 / 0.3D1 * t71 * cg77
|
|
# + 0.4D1 / 0.9D1 * t687 * t682 - 0.4D1 / 0.3D1 * t74 * cg77) * dbl
|
|
#e(t69)
|
|
f1rhoa = frhoa
|
|
t705 = cg13 * f
|
|
t708 = cg19 * f1rhoa
|
|
t711 = t78 * t79
|
|
t726 = cg74 - cg85
|
|
t733 = t726 * f
|
|
t736 = t84 * f1rhoa
|
|
t745 = -0.4D1 * t77 * t245 * cg77 + (-0.2D1 * t194 * cg58 * t46
|
|
#+ 0.2D1 * t588 * t590 - 0.2D1 * t595 * t596 * t212 + t200 * (-t600
|
|
# * t550 / 0.4D1 + t201 * cg58 / 0.2D1 + beta_2_2 * cg58 + 0.3D1 /
|
|
#0.4D1 * t606 * t550 + 0.3D1 / 0.2D1 * t205 * cg58 + t40 * t611 * t
|
|
#550 * t564 + t40 * t38 * cg58 * t187 - t40 * t38 * t550 * t564) *
|
|
#t212 + t626 * t596 * t628 * t34 / 0.2D1 - cg72) * f * t80 + t249 *
|
|
# f1rhoa * t80 + 0.4D1 * t250 * t254 + t726 * frhoa * t80 + t84 * c
|
|
#g92 * t80 + 0.4D1 * t252 * t254 + 0.4D1 * t733 * t254 + 0.4D1 * t7
|
|
#36 * t254 + 0.12D2 * t85 * t79 * t682 + 0.4D1 * t85 * t244 * cg77
|
|
cg41 = cg72 + (0.2D1 * t215 * cg58 * t64 - 0.2D1 * t636 * t638 +
|
|
# 0.2D1 * t643 * t644 * t233 - t221 * (-t648 * t550 / 0.4D1 + t222
|
|
#* cg58 / 0.2D1 + beta_2_3 * cg58 + 0.3D1 / 0.4D1 * t654 * t550 + 0
|
|
#.3D1 / 0.2D1 * t226 * cg58 + t58 * t659 * t550 * t564 + t58 * t56
|
|
#* cg58 * t187 - t58 * t56 * t550 * t564) * t233 - t674 * t644 * t6
|
|
#76 * t52 / 0.2D1) * f * t82 + cg73 * f1rhoa * t82 - 0.4D1 * t240 *
|
|
# t246 + cg13 * frhoa * t82 + cg19 * cg92 * t82 - 0.4D1 * t242 * t2
|
|
#46 - 0.4D1 * t705 * t246 - 0.4D1 * t708 * t246 - 0.12D2 * t77 * t7
|
|
#11 * t682 + t745
|
|
cg8 = cg85 + t705 * t82 + t708 * t82 - t248 + t733 * t80 + t736
|
|
#* t80 + t256
|
|
t750 = 0.1D1 / t72
|
|
t755 = 0.1D1 / t75
|
|
cg75 = -t750 * t682 / 0.9D1 + t257 * cg77 / 0.3D1 - t755 * t682
|
|
#/ 0.9D1 - t259 * cg77 / 0.3D1
|
|
cg15 = cg42
|
|
t763 = t90 ** 2
|
|
cg88 = -0.2D1 / 0.9D1 * dble(t3) / t262 / t91 * t763
|
|
t767 = 0.1D1 / t94 / t93
|
|
t768 = cg38 ** 2
|
|
cg87 = cg39
|
|
t775 = cg * t105 * t97
|
|
t776 = t2 * cg42
|
|
t779 = t269 * t273
|
|
t785 = t269 * t277 * cg42 / 0.2D1
|
|
t789 = t2 * cg39
|
|
t795 = t96 / t272 / cg21
|
|
t798 = t273 * t163
|
|
t801 = t96 * t798 * cg39 / 0.2D1
|
|
t812 = t96 * t97 * t518
|
|
cg86 = t775 * t776 * cg15 + t779 * t776 * cg87 / 0.2D1 + t785 -
|
|
#t269 * t98 * cg75 / 0.2D1 + t779 * t789 * cg15 / 0.2D1 + t795 * t7
|
|
#89 * cg87 + t801 - t96 * t274 * (-t767 * t768 * t523 / 0.2D1 + t26
|
|
#6 * cg88 * t7) / 0.2D1 + t269 * t277 * cg15 / 0.2D1 + t96 * t798 *
|
|
# cg87 / 0.2D1 + t812
|
|
t1rhoa = -t269 * t98 * cg15 / 0.2D1 - t96 * t274 * cg87 / 0.2D1
|
|
#- t278 / 0.2D1
|
|
t820 = t101 / t280 / t108
|
|
t821 = t107 ** 2
|
|
t822 = t289 * t821
|
|
t823 = cg8 * t100
|
|
t825 = t285 * cg15
|
|
t828 = -t823 * t105 + 0.3D1 * t102 * t825
|
|
t839 = 0.1D1 / t284 / phi
|
|
t840 = t839 * cg42
|
|
t851 = t101 * t281
|
|
cg33 = 0.2D1 * t820 * t822 * t828 - t101 * t281 * (-cg41 * t100
|
|
#* t105 + 0.3D1 * t282 * t825 + 0.3D1 * t823 * t286 - 0.12D2 * t102
|
|
# * t840 * cg15 + 0.3D1 * t102 * t285 * cg75) * t107 - t851 * t289
|
|
#* t828 * t107
|
|
A1rhoa = -t101 * t281 * t828 * t107
|
|
t858 = gamma_var * phi
|
|
t865 = A1rhoa * t111
|
|
t867 = 0.2D1 * t303 * t1rhoa
|
|
t868 = t865 + t867
|
|
t876 = t865 + t867 + 0.2D1 * t314 * A1rhoa + 0.4D1 * t318 * t1rh
|
|
#oa
|
|
t879 = 0.2D1 * t297 * t298 * t1rhoa + t101 * t111 * t868 * t119
|
|
#- t310 * t313 * t876
|
|
t880 = t879 * t325
|
|
t904 = t306 * t119
|
|
t908 = cg33 * t111
|
|
t909 = Arhoa * t
|
|
t911 = 0.2D1 * t909 * t1rhoa
|
|
t914 = 0.2D1 * A1rhoa * t * trhoa
|
|
t917 = 0.2D1 * A * t1rhoa * trhoa
|
|
t919 = 0.2D1 * t303 * cg86
|
|
t924 = t306 * t312
|
|
t936 = t113 / t311 / t118
|
|
t944 = A * t317
|
|
t953 = t115 * t111
|
|
t959 = t908 + t911 + t914 + t917 + t919 + 0.2D1 * A1rhoa * t116
|
|
#* Arhoa + 0.8D1 * t944 * Arhoa * t1rhoa + 0.2D1 * t314 * cg33 + 0.
|
|
#8D1 * t944 * trhoa * A1rhoa + 0.12D2 * t953 * trhoa * t1rhoa + 0.4
|
|
#D1 * t318 * cg86
|
|
t962 = 0.2D1 * t101 * t1rhoa * t299 + 0.2D1 * t297 * t868 * t119
|
|
# * trhoa - 0.2D1 * t297 * t313 * trhoa * t876 + 0.2D1 * t297 * t29
|
|
#8 * cg86 + 0.2D1 * t297 * t904 * t1rhoa + t101 * t111 * (t908 + t9
|
|
#11 + t914 + t917 + t919) * t119 - t310 * t924 * t876 - 0.2D1 * t29
|
|
#7 * t313 * t321 * t1rhoa - t310 * t868 * t312 * t321 + 0.2D1 * t31
|
|
#0 * t936 * t321 * t876 - t310 * t313 * t959
|
|
t965 = t122 ** 2
|
|
t966 = 0.1D1 / t965
|
|
t967 = t324 * t966
|
|
cg46 = -0.2D1 / 0.9D1 * dble(t124) / t329 / t125 * t763
|
|
cg47 = cg18
|
|
t985 = cg51 ** 2
|
|
cg3 = cg43
|
|
t998 = mu ** 2
|
|
t999 = 0.1D1 / t344 / t137 * t998
|
|
t1000 = t999 * t133
|
|
t1001 = cg43 * t135
|
|
cg30 = 0.2D1 * t346 * cg29 * cg3
|
|
exc_rhoa_rhoa = scale_ex * (0.2D1 * cg47 * cg23 + 0.2D1 * cg83 *
|
|
# cg30 + 0.2D1 * cg18 * cg23 - 0.3D1 / 0.2D1 * rhoa * t7 * cg46 * c
|
|
#g23 + 0.2D1 * t350 * cg30 + 0.2D1 * cg83 * cg45 + 0.2D1 * rhoa * c
|
|
#g47 * cg45 + 0.2D1 * t140 * (-0.8D1 * t1000 * t1001 * cg3 + 0.2D1
|
|
#* t346 * cg3 * cg43 + 0.2D1 * t346 * cg29 * (cg0 / t335 / cg22 * t
|
|
#131 * t985 + t337 * t341 * cg51 - t337 * t131 * cg46 / 0.2D1 + t13
|
|
#0 / t340 / rhoa))) / 0.2D1 + scale_ec * (cg8 + 0.3D1 * t293 * t123
|
|
# * cg15 + t110 * t880 + cg6 + rho * (cg41 + 0.6D1 * t858 * t294 *
|
|
#cg15 + 0.3D1 * t293 * t880 * cg42 + 0.3D1 * t293 * t123 * cg75 + 0
|
|
#.3D1 * t293 * t326 * cg15 + t110 * t962 * t325 - t110 * t967 * t87
|
|
#9))
|
|
cg40 = 0.2D1 * t519
|
|
cg11 = cg58
|
|
t1031 = t176 * t368 * t191
|
|
t1033 = alpha_1_1 * rsrhob
|
|
t1038 = rsrhoa * rsrhob
|
|
t1050 = rsrhob * t564 * rsrhoa
|
|
cg10 = -0.2D1 * t171 * cg11 * t28 + t536 * t1031 + t1033 * t538
|
|
#- 0.2D1 * t543 * t192 * t368 + t177 * (-t549 * t1038 / 0.4D1 + t17
|
|
#9 * cg11 / 0.2D1 + beta_2_1 * cg11 + 0.3D1 / 0.4D1 * t556 * t1038
|
|
#+ 0.3D1 / 0.2D1 * t183 * cg11 + t22 * t561 * t1050 + t22 * t20 * c
|
|
#g11 * t187 - t22 * t20 * t1050) * t191 + t578 * t190 * t580 * t14
|
|
#* t368 / 0.2D1
|
|
t1069 = t199 * t382 * t212
|
|
t1071 = alpha_1_2 * rsrhob
|
|
t1104 = t220 * t396 * t233
|
|
t1106 = alpha_1_3 * rsrhob
|
|
cg37 = (0.4D1 / 0.9D1 * t681 * cg26 * cg44 + 0.4D1 / 0.3D1 * t71
|
|
# * cg40 + 0.4D1 / 0.9D1 * t687 * cg26 * cg44 - 0.4D1 / 0.3D1 * t74
|
|
# * cg40) * dble(t69)
|
|
t1164 = t79 * cg26 * cg44
|
|
t1193 = -0.4D1 * t77 * t245 * cg40 + (-0.2D1 * t194 * cg11 * t46
|
|
# + t588 * t1069 + t1071 * t590 - 0.2D1 * t595 * t213 * t382 + t200
|
|
# * (-t600 * t1038 / 0.4D1 + t201 * cg11 / 0.2D1 + beta_2_2 * cg11
|
|
#+ 0.3D1 / 0.4D1 * t606 * t1038 + 0.3D1 / 0.2D1 * t205 * cg11 + t40
|
|
# * t611 * t1050 + t40 * t38 * cg11 * t187 - t40 * t38 * t1050) * t
|
|
#212 + t626 * t211 * t628 * t34 * t382 / 0.2D1 - cg10) * f * t80 +
|
|
#t249 * frhob * t80 + 0.4D1 * t250 * t415 + t410 * frhoa * t80 + t8
|
|
#4 * cg37 * t80 + 0.4D1 * t252 * t415 + 0.4D1 * t411 * t254 + 0.4D1
|
|
# * t413 * t254 + 0.12D2 * t85 * t1164 + 0.4D1 * t85 * t244 * cg40
|
|
cg14 = cg10 + (0.2D1 * t215 * cg11 * t64 - t636 * t1104 - t1106
|
|
#* t638 + 0.2D1 * t643 * t234 * t396 - t221 * (-t648 * t1038 / 0.4D
|
|
#1 + t222 * cg11 / 0.2D1 + beta_2_3 * cg11 + 0.3D1 / 0.4D1 * t654 *
|
|
# t1038 + 0.3D1 / 0.2D1 * t226 * cg11 + t58 * t659 * t1050 + t58 *
|
|
#t56 * cg11 * t187 - t58 * t56 * t1050) * t233 - t674 * t232 * t676
|
|
# * t52 * t396 / 0.2D1) * f * t82 + cg73 * frhob * t82 - 0.4D1 * t2
|
|
#40 * t407 + cg66 * frhoa * t82 + cg19 * cg37 * t82 - 0.4D1 * t242
|
|
#* t407 - 0.4D1 * t403 * t246 - 0.4D1 * t405 * t246 - 0.12D2 * t77
|
|
#* t78 * t1164 + t1193
|
|
cg91 = -t750 * cg26 * cg44 / 0.9D1 + t257 * cg40 / 0.3D1 - t755
|
|
#* cg26 * cg44 / 0.9D1 - t259 * cg40 / 0.3D1
|
|
cg84 = cg88
|
|
t1228 = t269 * t277 * cg52 / 0.2D1
|
|
t1231 = t96 * t798 * cg54 / 0.2D1
|
|
cg56 = t775 * t776 * cg52 + t779 * t776 * cg54 / 0.2D1 + t785 -
|
|
#t269 * t98 * cg91 / 0.2D1 + t779 * t789 * cg52 / 0.2D1 + t795 * t7
|
|
#89 * cg54 + t801 - t96 * t274 * (-t767 * cg38 * t523 * cg53 / 0.2D
|
|
#1 + t266 * cg84 * t7) / 0.2D1 + t1228 + t1231 + t812
|
|
cg55 = 0.2D1 * t820 * t822 * t432 - t101 * t281 * (-cg14 * t100
|
|
#* t105 + 0.3D1 * t282 * t429 + 0.3D1 * t427 * t286 - 0.12D2 * t102
|
|
# * t840 * cg52 + 0.3D1 * t102 * t285 * cg91) * t107 - t851 * t289
|
|
#* t432 * t107
|
|
t1269 = t445 * t119
|
|
t1283 = cg55 * t111
|
|
t1285 = 0.2D1 * t909 * trhob
|
|
t1286 = Arhob * t
|
|
t1288 = 0.2D1 * t1286 * trhoa
|
|
t1291 = 0.2D1 * A * trhob * trhoa
|
|
t1293 = 0.2D1 * t303 * cg56
|
|
t1304 = t445 * t312
|
|
t1327 = t1283 + t1285 + t1288 + t1291 + t1293 + 0.2D1 * Arhob *
|
|
#t116 * Arhoa + 0.8D1 * t944 * Arhoa * trhob + 0.2D1 * t314 * cg55
|
|
#+ 0.8D1 * t944 * trhoa * Arhob + 0.12D2 * t953 * trhoa * trhob + 0
|
|
#.4D1 * t318 * cg56
|
|
t1330 = 0.2D1 * t101 * trhob * t299 + 0.2D1 * t297 * t1269 * trh
|
|
#oa - 0.2D1 * t297 * t313 * trhoa * t453 + 0.2D1 * t297 * t298 * cg
|
|
#56 + 0.2D1 * t297 * t904 * trhob + t101 * t111 * (t1283 + t1285 +
|
|
#t1288 + t1291 + t1293) * t119 - t310 * t924 * t453 - 0.2D1 * t297
|
|
#* t313 * t321 * trhob - t310 * t1304 * t321 + 0.2D1 * t310 * t936
|
|
#* t321 * t453 - t310 * t313 * t1327
|
|
exc_rhoa_rhob = scale_ec * (cg4 + cg6 + rho * (cg14 + 0.6D1 * t8
|
|
#58 * t294 * cg52 + 0.3D1 * t293 * t457 * cg42 + 0.3D1 * t293 * t12
|
|
#3 * cg91 + 0.3D1 * t293 * t326 * cg52 + t110 * t1330 * t325 - t110
|
|
# * t967 * t456))
|
|
cg65 = 0.2D1 * t163 + 0.2D1 * t519
|
|
cg35 = cg11
|
|
t1342 = t368 ** 2
|
|
t1346 = rsrhob ** 2
|
|
cg28 = -0.2D1 * t171 * cg35 * t28 + 0.2D1 * t1033 * t1031 - 0.2D
|
|
#1 * t543 * t1342 * t191 + t177 * (-t549 * t1346 / 0.4D1 + t179 * c
|
|
#g35 / 0.2D1 + beta_2_1 * cg35 + 0.3D1 / 0.4D1 * t556 * t1346 + 0.3
|
|
#D1 / 0.2D1 * t183 * cg35 + t22 * t561 * t1346 * t564 + t22 * t20 *
|
|
# cg35 * t187 - t22 * t20 * t1346 * t564) * t191 + t578 * t1342 * t
|
|
#580 * t14 / 0.2D1
|
|
cg64 = cg67
|
|
t1377 = t382 ** 2
|
|
t1411 = t396 ** 2
|
|
cg81 = cg66
|
|
t1440 = cg44 ** 2
|
|
cg61 = (0.4D1 / 0.9D1 * t681 * t1440 + 0.4D1 / 0.3D1 * t71 * cg6
|
|
#5 + 0.4D1 / 0.9D1 * t687 * t1440 - 0.4D1 / 0.3D1 * t74 * cg65) * d
|
|
#ble(t69)
|
|
f1rhob = frhob
|
|
t1462 = cg81 * f
|
|
t1465 = cg19 * f1rhob
|
|
t1482 = cg68 - cg64
|
|
t1489 = t1482 * f
|
|
t1492 = t84 * f1rhob
|
|
t1501 = -0.4D1 * t77 * t245 * cg65 + (-0.2D1 * t194 * cg35 * t46
|
|
# + 0.2D1 * t1071 * t1069 - 0.2D1 * t595 * t1377 * t212 + t200 * (-
|
|
#t600 * t1346 / 0.4D1 + t201 * cg35 / 0.2D1 + beta_2_2 * cg35 + 0.3
|
|
#D1 / 0.4D1 * t606 * t1346 + 0.3D1 / 0.2D1 * t205 * cg35 + t40 * t6
|
|
#11 * t1346 * t564 + t40 * t38 * cg35 * t187 - t40 * t38 * t1346 *
|
|
#t564) * t212 + t626 * t1377 * t628 * t34 / 0.2D1 - cg28) * f * t80
|
|
# + t410 * f1rhob * t80 + 0.4D1 * t411 * t415 + t1482 * frhob * t80
|
|
# + t84 * cg61 * t80 + 0.4D1 * t413 * t415 + 0.4D1 * t1489 * t415 +
|
|
# 0.4D1 * t1492 * t415 + 0.12D2 * t85 * t79 * t1440 + 0.4D1 * t85 *
|
|
# t244 * cg65
|
|
cg90 = cg28 + (0.2D1 * t215 * cg35 * t64 - 0.2D1 * t1106 * t1104
|
|
# + 0.2D1 * t643 * t1411 * t233 - t221 * (-t648 * t1346 / 0.4D1 + t
|
|
#222 * cg35 / 0.2D1 + beta_2_3 * cg35 + 0.3D1 / 0.4D1 * t654 * t134
|
|
#6 + 0.3D1 / 0.2D1 * t226 * cg35 + t58 * t659 * t1346 * t564 + t58
|
|
#* t56 * cg35 * t187 - t58 * t56 * t1346 * t564) * t233 - t674 * t1
|
|
#411 * t676 * t52 / 0.2D1) * f * t82 + cg66 * f1rhob * t82 - 0.4D1
|
|
#* t403 * t407 + cg81 * frhob * t82 + cg19 * cg61 * t82 - 0.4D1 * t
|
|
#405 * t407 - 0.4D1 * t1462 * t407 - 0.4D1 * t1465 * t407 - 0.12D2
|
|
#* t77 * t711 * t1440 + t1501
|
|
cg82 = cg64 + t1462 * t82 + t1465 * t82 - t409 + t1489 * t80 + t
|
|
#1492 * t80 + t417
|
|
cg80 = -t750 * t1440 / 0.9D1 + t257 * cg65 / 0.3D1 - t755 * t144
|
|
#0 / 0.9D1 - t259 * cg65 / 0.3D1
|
|
cg89 = cg52
|
|
t1514 = cg53 ** 2
|
|
cg79 = cg54
|
|
t1520 = t2 * cg52
|
|
t1529 = t2 * cg54
|
|
cg9 = t775 * t1520 * cg89 + t779 * t1520 * cg79 / 0.2D1 + t1228
|
|
#- t269 * t98 * cg80 / 0.2D1 + t779 * t1529 * cg89 / 0.2D1 + t795 *
|
|
# t1529 * cg79 + t1231 - t96 * t274 * (-t767 * t1514 * t523 / 0.2D1
|
|
# + t266 * cg84 * t7) / 0.2D1 + t269 * t277 * cg89 / 0.2D1 + t96 *
|
|
#t798 * cg79 / 0.2D1 + t812
|
|
t1rhob = -t269 * t98 * cg89 / 0.2D1 - t96 * t274 * cg79 / 0.2D1
|
|
#- t278 / 0.2D1
|
|
t1550 = cg82 * t100
|
|
t1552 = t285 * cg89
|
|
t1555 = -t1550 * t105 + 0.3D1 * t102 * t1552
|
|
cg12 = 0.2D1 * t820 * t432 * t821 * t1555 - t101 * t281 * (-cg90
|
|
# * t100 * t105 + 0.3D1 * t427 * t1552 + 0.3D1 * t1550 * t429 - 0.1
|
|
#2D2 * t102 * t839 * cg52 * cg89 + 0.3D1 * t102 * t285 * cg80) * t1
|
|
#07 - t851 * t432 * t1555 * t107
|
|
A1rhob = -t101 * t281 * t1555 * t107
|
|
t1588 = A1rhob * t111
|
|
t1590 = 0.2D1 * t303 * t1rhob
|
|
t1591 = t1588 + t1590
|
|
t1599 = t1588 + t1590 + 0.2D1 * t314 * A1rhob + 0.4D1 * t318 * t
|
|
#1rhob
|
|
t1602 = 0.2D1 * t297 * t298 * t1rhob + t101 * t111 * t1591 * t11
|
|
#9 - t310 * t313 * t1599
|
|
t1603 = t1602 * t325
|
|
t1630 = cg12 * t111
|
|
t1632 = 0.2D1 * t1286 * t1rhob
|
|
t1635 = 0.2D1 * A1rhob * t * trhob
|
|
t1638 = 0.2D1 * A * t1rhob * trhob
|
|
t1640 = 0.2D1 * t303 * cg9
|
|
t1674 = t1630 + t1632 + t1635 + t1638 + t1640 + 0.2D1 * A1rhob *
|
|
# t116 * Arhob + 0.8D1 * t944 * Arhob * t1rhob + 0.2D1 * t314 * cg1
|
|
#2 + 0.8D1 * t944 * trhob * A1rhob + 0.12D2 * t953 * trhob * t1rhob
|
|
# + 0.4D1 * t318 * cg9
|
|
t1677 = 0.2D1 * t101 * t1rhob * t439 + 0.2D1 * t297 * t1591 * t1
|
|
#19 * trhob - 0.2D1 * t297 * t313 * trhob * t1599 + 0.2D1 * t297 *
|
|
#t298 * cg9 + 0.2D1 * t297 * t1269 * t1rhob + t101 * t111 * (t1630
|
|
#+ t1632 + t1635 + t1638 + t1640) * t119 - t310 * t1304 * t1599 - 0
|
|
#.2D1 * t297 * t313 * t453 * t1rhob - t310 * t1591 * t312 * t453 +
|
|
#0.2D1 * t310 * t936 * t453 * t1599 - t310 * t313 * t1674
|
|
t1680 = t456 * t966
|
|
cg48 = -0.2D1 / 0.9D1 * dble(t124) / t460 / t142 * t763
|
|
cg49 = cg34
|
|
t1698 = cg62 ** 2
|
|
cg2 = cg59
|
|
t1711 = 0.1D1 / t475 / t153 * t998
|
|
t1712 = t1711 * t150
|
|
t1713 = cg59 * t135
|
|
cg36 = 0.2D1 * t477 * cg32 * cg2
|
|
exc_rhob_rhob = scale_ex * (0.2D1 * cg49 * cg25 + 0.2D1 * cg31 *
|
|
# cg36 + 0.2D1 * cg34 * cg25 - 0.3D1 / 0.2D1 * rhob * t7 * cg48 * c
|
|
#g25 + 0.2D1 * t481 * cg36 + 0.2D1 * cg31 * cg57 + 0.2D1 * rhob * c
|
|
#g49 * cg57 + 0.2D1 * t156 * (-0.8D1 * t1712 * t1713 * cg2 + 0.2D1
|
|
#* t477 * cg2 * cg59 + 0.2D1 * t477 * cg32 * (cg1 / t466 / cg24 * t
|
|
#148 * t1698 + t468 * t472 * cg62 - t468 * t148 * cg48 / 0.2D1 + t1
|
|
#47 / t471 / rhob))) / 0.2D1 + scale_ec * (cg82 + 0.3D1 * t293 * t1
|
|
#23 * cg89 + t110 * t1603 + cg4 + rho * (cg90 + 0.6D1 * t858 * t436
|
|
# * cg89 + 0.3D1 * t293 * t1603 * cg52 + 0.3D1 * t293 * t123 * cg80
|
|
# + 0.3D1 * t293 * t457 * cg89 + t110 * t1677 * t325 - t110 * t1680
|
|
# * t1602))
|
|
t1739 = t268 * t97
|
|
t1741 = t95 * t273
|
|
t1743 = t488 * t163
|
|
cg50 = -t1739 * t776 / 0.2D1 - t1741 * t789 / 0.2D1 - t1743 / 0.
|
|
#2D1
|
|
t1748 = t101 * cg63
|
|
t1765 = t909 * cg63
|
|
t1766 = t494 * trhoa
|
|
t1767 = t303 * cg50
|
|
t1801 = 0.2D1 * t1748 * t299 + 0.4D1 * t310 * t494 * t119 * trho
|
|
#a - 0.2D1 * t297 * t313 * trhoa * t502 + 0.2D1 * t297 * t298 * cg5
|
|
#0 + 0.2D1 * t297 * t904 * cg63 + t101 * t111 * (0.2D1 * t1765 + 0.
|
|
#2D1 * t1766 + 0.2D1 * t1767) * t119 - t310 * t924 * t502 - 0.2D1 *
|
|
# t297 * t313 * t321 * cg63 - 0.2D1 * t493 * t494 * t312 * t321 + 0
|
|
#.2D1 * t310 * t936 * t321 * t502 - t310 * t313 * (0.2D1 * t1765 +
|
|
#0.2D1 * t1766 + 0.2D1 * t1767 + 0.8D1 * t944 * Arhoa * cg63 + 0.12
|
|
#D2 * t953 * trhoa * cg63 + 0.4D1 * t318 * cg50)
|
|
exc_rhoa_norm_drho = scale_ec * (cg60 + rho * (0.3D1 * t293 * t5
|
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#06 * cg42 + t110 * t1801 * t325 - t110 * t967 * t505))
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cg78 = -t1739 * t1520 / 0.2D1 - t1741 * t1529 / 0.2D1 - t1743 /
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#0.2D1
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t1829 = t1286 * cg63
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t1830 = t494 * trhob
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t1831 = t303 * cg78
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t1865 = 0.2D1 * t1748 * t439 + 0.4D1 * t310 * t494 * t119 * trho
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#b - 0.2D1 * t297 * t313 * trhob * t502 + 0.2D1 * t297 * t298 * cg7
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#8 + 0.2D1 * t297 * t1269 * cg63 + t101 * t111 * (0.2D1 * t1829 + 0
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#.2D1 * t1830 + 0.2D1 * t1831) * t119 - t310 * t1304 * t502 - 0.2D1
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# * t297 * t313 * t453 * cg63 - 0.2D1 * t493 * t494 * t312 * t453 +
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# 0.2D1 * t310 * t936 * t453 * t502 - t310 * t313 * (0.2D1 * t1829
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#+ 0.2D1 * t1830 + 0.2D1 * t1831 + 0.8D1 * t944 * Arhob * cg63 + 0.
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#12D2 * t953 * trhob * cg63 + 0.4D1 * t318 * cg78)
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exc_rhob_norm_drho = scale_ec * (cg60 + rho * (0.3D1 * t293 * t5
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#06 * cg52 + t110 * t1865 * t325 - t110 * t1680 * t505))
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t1871 = cg63 ** 2
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t1876 = A * t1871
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t1888 = t502 ** 2
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t1901 = t505 ** 2
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exc_norm_drho_norm_drho = scale_ec * rho * (t110 * (0.2D1 * t101
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# * t1871 * t113 * t119 + 0.10D2 * t310 * t1876 * t119 - 0.4D1 * t2
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#97 * t313 * cg63 * t502 - 0.4D1 * t493 * t494 * t312 * t502 + 0.2D
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#1 * t310 * t936 * t1888 - t310 * t313 * (0.2D1 * t1876 + 0.12D2 *
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#t953 * t1871)) * t325 - t110 * t1901 * t966)
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exc_rhoa_norm_drhoa = scale_ex * (0.2D1 * cg83 * cg69 + 0.2D1 *
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#t350 * cg69 + 0.2D1 * t140 * (-0.8D1 * t1000 * t1001 * cg16 + 0.2D
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#1 * t346 * cg16 * cg43 + 0.2D1 * t346 * cg29 * (-t336 * t131 * cg5
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#1 / 0.2D1 - t129 * t341 / 0.2D1))) / 0.2D1
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t1922 = cg16 ** 2
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exc_norm_drhoa_norm_drhoa = scale_ex * t140 * (-0.8D1 * t999 * t
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#133 * t1922 * t135 + 0.2D1 * t346 * t1922)
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exc_rhob_norm_drhob = scale_ex * (0.2D1 * cg31 * cg71 + 0.2D1 *
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#t481 * cg71 + 0.2D1 * t156 * (-0.8D1 * t1712 * t1713 * cg70 + 0.2D
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#1 * t477 * cg70 * cg59 + 0.2D1 * t477 * cg32 * (-t467 * t148 * cg6
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#2 / 0.2D1 - t146 * t472 / 0.2D1))) / 0.2D1
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t1949 = cg70 ** 2
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exc_norm_drhob_norm_drhob = scale_ex * t156 * (-0.8D1 * t1711 *
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#t150 * t1949 * t135 + 0.2D1 * t477 * t1949)
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cg93 = exc_norm_drhob_norm_drhob
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return
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end</Text-field></Output></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input"/></Input></Group></Section></Section><Text-field/><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">evalf(r_eqs_lsd4(0.1,0.1,0.3,0.15,0.15));
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evalf(exc);</Text-field></Input><Output><Text-field layout="Maple Output" style="2D Output"><Equation style="2D Output">NiMkIStqcF4lMyIhIzU=</Equation></Text-field><Text-field layout="Maple Output" style="2D Output"><Equation style="2D Output">NiMkISs1aGhkKSohIzY=</Equation></Text-field></Output></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">evalf(r_eqs_lda4(0.2,0.3));
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evalf(exc);</Text-field></Input><Output><Text-field layout="Maple Output" style="2D Output"><Equation style="2D Output">NiMkISsqemwxKyIhIzU=</Equation></Text-field><Text-field layout="Maple Output" style="2D Output"><Equation style="2D Output">NiMkISs1aGhkKSohIzY=</Equation></Text-field></Output></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input">exc:='exc':exc_rhoa:='exc_rhoa':exc_rhob:='exc_rhob':exc_norm_drho:='exc_norm_drho':
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exc_norm_drhoa:='exc_norm_drhoa':exc_norm_drhob:='exc_norm_drhob':
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exc_rhoa_rhoa:='exc_rhoa_rhoa':exc_rhoa_rhob:='exc_rhoa_rhob':exc_rhob_rhob:='exc_rhob_rhob':
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exc_rhoa_norm_drho:='exc_rhoa_norm_drho':exc_rhob_norm_drho:='exc_rhob_norm_drho':
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exc_norm_drho_norm_drho:='exc_norm_drho_norm_drho':
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exc_rhoa_norm_drhoa:='exc_rhoa_norm_drhoa':exc_norm_drhoa_norm_drhoa:='exc_norm_drhoa_norm_drhoa':
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exc_rhob_norm_drhob:='exc_rhob_norm_drhob':exc_norm_drhob_norm_drhob:='exc_norm_drhob_norm_drhob':
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my_rho:='my_rho':my_norm_drho:='my_norm_drho':my_rhoa:='my_rhoa':my_rhob:='my_rhob':
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my_norm_drhoa:='my_norm_drhoa':my_norm_drhob:='my_norm_drhob':
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exc_rho:='exc_rho':exc_rho_rho:='exc_rho_rho':exc_rho_norm_drho:='exc_rho_norm_drho':
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</Text-field></Input></Group><Group><Input><Text-field layout="Normal" prompt="> " style="Maple Input"/></Input></Group><Text-field/><Text-field/></Worksheet> |