plot file data c------------------------------------- write (n4,1000) loopx, loopy, jinc(1) c output graphics data do i = 1, loopx if (i.ne.1.and.igrd(i,1).eq.0) igrd(i,1) = igrd(i-1,1) kst = 1 20 jst = kst if (i.ne.1.and.igrd(i,jst).eq.0) igrd(i,jst) = igrd(i-1,jst) kd = igrd(i,jst) ltic = -1 do j = jst, loopy if (i.ne.1.and.igrd(i,j).eq.0) igrd(i,j) = igrd(i-1,j) if (igrd(i,j).eq.0.or.igrd(i,j).eq.kd) then ltic = ltic + 1 if (j.eq.loopy) then write (n4,1000) ltic,kd kst = 1 end if else write (n4,1000) ltic,kd kst = j goto 20 end if end do end do c write assemblage list write (n4,*) iasct do i = 1, iasct write (n4,*) iavar(1,i),iavar(2,i),iavar(3,i) write (n4,*) (idasls(j,i), j = 1, iavar(3,i)) end do c---------------------------------- loopx, loopy, jinc = 2**(jlev-1) number of nodes associated with a result - 1, pointer to the result (in bpl) [read with j changing fastest] followed by iasct = number of asssemblages and for each assemblage i iavar(1,i) = number of solution phases, iavar(2,i) = stoichiometric phases, iavar(3,i) = sum followed by a pointer for each phase in the assemblage (either to a solution phase or a stoichiometric phase) ======================================================================================== bplot file data write statements c----------------------------------- c graphics output write (n5,1000) ico,jco,iap(ibulk) c phase molar amounts write (n5,1010) (b(i),i=1,np+ncpd) c solution phase compositions do i = 1, np ids = kkp(i) write (n5,1010) ((x3(i,j,k),k=1,ispg(ids,j)),j=1,istg(ids)) end do 1000 format (10(i8,1x)) 1010 format (6(g16.8,1x)) c----------------------------------- this i/o is repeasted for every optimization (the numbering of the optimizations is sequential, i.e., the first data is for optimization 1 = ibulk) ico, jco = the i,j coordinate at which the optimization was done, iap(ibulk) is the pointer to the phase assemblage (ibulk = 1..iasct) b(i) i = 1...iavar(iavar(3,iap(ibulk)) then for each of the solution phases in the assemblage (iavar(1,iap(ibulk)) read the following data for solution ids = idasls(j,iap(ibulk)) for site j = 1...istg(ids) read the compositions of each of the k = 1..ispg(ids,j) species