c       program MINTAB
c----------------------------------------------------------------------------
c Version 1.0 (beta)    1/99
c
c For compilation with Fortran90 on PC or UNIX platform
c (modified for not using EOF function of Fortran95)
c
c This program reads plot files from CHILLER, GASWORKS, and SOLVEQ and generates
c an ASCII file with data in tabular (colums) format for input
c into commercial plotting packages.
c
c N.Spycher, 12/98
c Developed from program MINPLOT originally written by:
c        Nicolas Spycher U. of O. 1982-1983
c        Anthony Michaels, Mark Reed, and Jeff DeBraal U. of O. 1989-1990
c
c The type of data to output in tabular format (i.e. temperature, pressure
c etc.) can be specified interactively or (faster) by a list of command
c strings entered in an ASCII file (MINTAB.PAR).  This file can created
c with a text editor or by running MINTAB. The default name for this file
c is MINTAB.PAR but any other file name can be specified.
c ASCII character strings in MINTAB.PAR must be entered one per record, without
c heading blanks.  These strings identify the parameters to tabulate.  String
c formats are described in subroutine ReadParam.
c
c Labels (column headings) of general parameters (i.e. temperature, pressure,
c enthalpy, porosity etc.) are assigned to array parlab0 in the BLOCK DATA
c program unit.  Depending on which version of CHILLER, GASWORKS, or SOLVEQ
c you are using, these can be easily reassigned in the BLOCK DATA.
c
c Maximum allowed array dimensions are defined, and can be modified,
c in file MINTABDFx.INC.  Most common blocks are set in file MINTABCMx.INC.
c
c Note: with MINTAB, the number of datasets in the CHILLER, GASWORKS, or
c SOLVEQ files is unlimited (no maximum; limited only by the amount of
c disk storage).
c
c--------------------------------------------------------------------------------
c
c Definition of important variables:
c
c       Array maximum dimensions
c               max1 = max. number of general parameters
c               max2 = max. number of species (component + derived)
c               max3 = max. number of gases
c               max4 = max. number of component species
c               max5 = max. number of variables (data columns) to output
c               max6 = unused
c               max7 = max. number of minerals in simulation
c
c       Number of components in simulation
c               ibstot  component species
c               nst     all aqueous species
c               ngas    gases
c               nmin    minerals
c
c       Type of input plot files
c               ipar_typ    =1 CHILLER
c                           =2 GASWORKS
c                           =3 SOLVEQ
c
c       General parameters (such as those on the first record of data sets
c         in the CHILLER or GASWORKS plot file).  The index of these parameters
c         are in the same order as for array PARLAB0(i,ipar_typ) in the BLOCK
c         DATA program unit:
c               par(1)  (e.g. temperature)
c               par(2)  (e.g. Pfluid)
c               par(3)   ...and so on...
c               par(4)
c               par(5)
c               par(6)
c               par(7)
c               par(8)
c
c       Other variables read in the input plot files
c               rmtry  = molalities of individual species
c               rmtot  = total moles of component species
c               aqm    = aqueous moles of component species
c               gasnam = the name of the gas
c               fuga   = fugacity of gas
c               rname  = name of saturated mineral or gas
c               rmol   = saturated mineral/gas moles
c               gra    = saturated mineral/gas grams
c               solf   = saturated mineral/gas mole frac. in solid solution
c               per    = saturated mineral/gas weight percent
c               qklog  = log(Q/K)
c
c       Related to input plot files
c               nset      number of datasets read (i.e. # of temperature steps)
c               ipar_typ  flag for CHILLER (1), GASWORKS(2) or SOLVEQ(3) data
c
c       Number of pointers, and pointer values
c               npar, ipar   number and index of par's to save
c               nmtry,imtry  number and index of rmtry's to save
c               nmtot,imtot  number and index of rmtot's to save
c               naqm,iaqm    number and index of aqm's to save
c               nfuga,ifuga  number and index of fuga's to save
c               nmol,imol    number and index of mol's to save
c               ngra,igra    number and index of gra's to save
c               nsol,isol    number and index of solf's to save
c               nper,iper    number and index of per's to save
c               nqk,iqk      number and index of qk's to save
c
c       Labels for tabulated output
c               parlab       labels assigned to selected par values
c               fugalab      labels assigned to selected fuga values
c               mtrylab      labels assigned to selected rmtry values
c               mtotlab      labels assigned to selected rmtot values
c               aqmlab       labels assigned to selected array aqm
c               mollab       labels assigned to selected rmol values
c               gralab       labels assigned to selected gra value
c               solflab      labels assigned to selected solf values
c               perlab       labels assigned to selected per values
c               qklab        labels assigned to selected qk values
c
c       Other labels read in input plot files:
c               specnam      aq. species names
c               rname        mineral names
c               gasname      gas names
c
c
c       I/O device numbers (defined in mintabdfx.inc)
c
c          inp1         main plot input file (i.e. chillplt.dat)
c          inp2         parameter input file (inp2 can be output if created)
c          inp3         label file (chiller/gasworks data only)
c          iout1        output file (tabulated data)
c          iunit1       chillout file
c
c***********************
      block data
c***********************
      implicit real*4 (a-h,o-z)
      implicit integer (i-n)
c
      character*12 parlab0(8,3)  !default labels for general parameters
                                 ! (1=chiller, 2=solvgas and 3=solveq)
*ptx      character*8     blank
      character*8     blank, blank8
      character*12    blank12
      character*20    blank20
      character*1     pos
c
*ptx      data   blank /'        '/
      data   blank8 /'        '/
      data   blank12 /'            '/
      data   blank20 /'                    '/
      data   pos /'y'/
c
c     Note: the labels below must correspond, in same order, to the variables
c     output in plot files by chiller, gasworks, and solveq.  You can change
c     these labels to match plot files of various program versions (that's
c     all you need to do to, then recompile).
c     Note: if parlab0 for pH is 'pH', input a(H+) is converted automatically
c     to pH.  Otherwise, a(H)+ is output.
c
c     parlab0(i,1)  i=1,8  describes the data in par(i) for CHILLER plot files
c     parlab0(i,2)  i=1,8  describes the data in par(i) for GASWORKS plot files
c     parlab0(i,3)  i=1,8  describes the data in par(i) for SOLVEQ output files
c

      data parlab0/'Temp    ','Pfluid  ','pH      ','Mix.frac',   !chiller
     +             'Temp    ','Enthalpy','Porosity','Gas_wt.%',   !chiller
cjp     +             'Mix.frac','Tempc   ','        ','        ',   !gasworks
     +             'Temp    ','Mix.frac','        ','        ',   !gasworks
     +             '        ','        ','        ','        ',   !gasworks
     +             'Temp    ','Alkalin.','pH      ','        ',   !solveq
     +             '        ','        ','        ','        '/   !solveq
c
      common /parlab/parlab0
*ptx      common /strings/pos,blank
      common /strings/pos,blank,blank8,blank12,blank20
c
      end

c*******************************
c  main program
c*******************************
      program mintab

      include 'mintabdfx.inc'        !array dimensions, io numbers etc
      include 'mintabcmx.inc'        !common blocks, declarations
c
      character*1     ans
*ptx      character*8     name, dummy
      character*8     dummy
      character*20    name
      character*8     title1(10), title2(10)
      character*80    fil
      character*12    fildef(3)
c
      logical exists

       fildef(1)='chillplt.dat'
       fildef(2)='gasplot.dat'
       fildef(3)='solout.dat'
c
c     version number
c
      write(*,"(///5x,'*** MINTAB version 1.0 beta ***'///)")

c
c     initialization
c
      do i=1,max7
        divmin(i)=1.0    !mineral division factor
      end do
c
c     define the type of input plot file
c
      write(*,"(/5x,'Type of data file to read:'
     & //10x,'1  chiller plot file'/10x,'2  gasworks plot file'
     & /10x,'3  solveq output file'
     & //5x,'Enter selection (default=1) :> '$)")
      read(*,"(i1)") ipar_typ
      if(ipar_typ.le.1.or.ipar_typ.gt.3) ipar_typ=1
c
c--Open files
c
      write(*,"(/5x,'Enter name of plot data input file (default='
     & a12,')',/5x,':> '$)") fildef(ipar_typ)
       fil=fildef(ipar_typ)
      call open_old(inp1,fil)
c
c     default parameter file name
      paramfil='mintab.par'
c
c     default output file name
      filout = fil
      do k = 1,80
        if (fil(k:k) .eq. '.') then
         filout(k+1:k+3) = 'tab'
          exit
        end if
      end do
c
c     default label file name for chiller, gasworks
      labelfil = fil
      do k = 1,80
        if (fil(k:k) .eq. '.') then
         labelfil(k+1:k+3) = 'lab'
          exit
        end if
      end do
c
c     look to see if label file exists (chiller/gasworks files only)
      if(ipar_typ.lt.3) then
        inquire (file = labelfil, exist = exists)
        if(.not.exists) call GenLabels(ipar_typ)
      end if
c
      write(*,"(/5x,'Enter name of tabulated output data file'
     &   /5x,'(default = ',a12,') :> '$)") filout
      call open_new(iout1,filout)

c----------------------------------------------------------------
c     Reads the plot file (first time through)
c
c     For CHILLER/GASWORKS plot file only
      if(ipar_typ.lt.3) then

c      Read in the numbers ibstot, nst, and ngas in the input file
c      (correspond to the number of components, complexes,
c      and the number of gases respectively).
        read(inp1, *) ibstot, nst, ngas
        write(*, "( //2x, 'Ibstot = ',i3, 2x,'Nst = ',i3,
     &                2x,'Ngas = ', i3,//)") ibstot, nst, ngas
c
        if(ibstot.gt.max4) then
         write(*,"(/5x,'Number of component species (ibstot) exceeded.'
     &    /,5x,'Maximum allowed is: ',i3)") max4
         stop
c
        elseif(nst.gt.max2) then
         write(*,"(/5x,'Number of derived species (nst) exceeded.'/
     &    ,5x,'Maximum allowed is: ',i3)") max2
         stop
c
        elseif(ngas.gt.max3) then
         write(*,"(/5x,'Number of gases (ngas) exceeded.'/
     &    ,5x,'Maximum allowed is: ',i3)") max3
         stop
        endif
c
        read (inp1, "( 10a8/10a8)") title1, title2
        write (*, "( //2x, 10a8/2x, 10a8/5x,
     &   'Reading plot file to check and order data...'/)")title1,title2

      end if
c---------------------------------------------------------------------
c    Now we need to read the entire plot file to get the mineral and
c    gas names and sort them.  We will read the file again later,
c    set by set, to tabulate the data.  This way we are not
c    limited by the plot file size (i.e. do not need to store all
c    data in memory).
c    For SOLVEQ data, we also get species names here
c
      nsets=0                    !index of data set
      iend=0                     !flag for end-of-file when reading top of set
      do  k = 1,max7             !initialize mineral name variables
*ptx        rname(k)=blank
        rname(k)=blank20
      end do
      write(*,*)

      do
        if(ipar_typ.lt.3) then        !CHILLER/GASWORKS plot file
          call ReadPlotC(iend,ipar_typ)
        else                          !SOLVEQ output file
          call ReadPlotS(iend)
        end if
        if(iend.eq.1) exit            !end of file when reading top of set
        nsets=nsets+1
        write (*,"(5x,'Done reading data set number : ',i4,
     &               8x,' Number of mins : ', i3)")
     &                  nsets, nmin
      end do

c
c     rewind the plot file and advance to the top of the first data set
      rewind (inp1)
      if(ipar_typ.lt.3) read (inp1,"(//)")   !skip first 3 records

c-----------------------------------------------------------------------
c
c     Now we select the data to tabulate
c
      write(*,"(/5x,'Use an existing plot parameter'
     & 'file (default=yes) ?  :> '$)")
       read(*,"(a1)") ans
c
       if(ans.eq.'N'.or.ans.eq.'n') then
c
c       Select data to tabulate and generate the parameter file
        do
          call Select(ipar_typ)
          write (*, '( ///5x, ''Do you want to tabulate more '',
     1                  ''data ? (default=yes) :> '', $)')
          read ( * , '( a1)') ans
          if(ans.eq.' ') ans = pos
          if ((ans .ne. 'y') .and. (ans .ne. 'Y')) exit
        end do
        call GenParam
      else
c
c       reads the Parameter file (parameters to tabulate)
        call ReadParam(ipar_typ)
      end if

c-----------------------------------------------------------------
c
c  Writes labels at top of the output file
c  ---------------------------------------------------------------
c
c      General parameters
        do i=1,npar
                write(iout1,"(1x,a12,$)") parlab(i)
        end do
c
c      Gas fugacities
        do i=1,nfuga
*ptx                write(iout1,"(1x,a12,$)") fugalab(i)   !fugacity
                write(iout1,"(1x,a24,$)") fugalab(i)   !fugacity
        end do
c
c      Selected aq. species
        do i=1, nmtry
*ptx          write (iout1,"(1x,a12,$)") mtrylab(i)    !molality
          write (iout1,"(1x,a16,$)") mtrylab(i)    !molality
        end do
        do i=1, nmtot
*ptx          write (iout1,"(1x,a12,$)") mtotlab(i)   !total moles
          write (iout1,"(1x,a16,$)") mtotlab(i)   !total moles
        end do
        do i=1, naqm
*ptx          write (iout1,"(1x,a12,$)") aqmlab(i)      !total aq. molality
          write (iout1,"(1x,a16,$)") aqmlab(i)      !total aq. molality
        end do
c
c      Selected minerals
        do i=1,nmol
*ptx          write (iout1,"(1x,a12,$)") mollab(i)   !moles
          write (iout1,"(1x,a24,$)") mollab(i)   !moles
         end do
        do i=1,ngra
*ptx          write (iout1,"(1x,a12,$)") gralab(i)           !grams
          write (iout1,"(1x,a24,$)") gralab(i)           !grams
         end do
        do i=1,nsol
*ptx          write (iout1,"(1x,a12,$)") solflab(i)          !solid sol. fraction
          write (iout1,"(1x,a24,$)") solflab(i)          !solid sol. fraction
         end do
        do i=1,nper
*ptx          write (iout1,"(1x,a12,$)") perlab(i)           !weight percent
          write (iout1,"(1x,a24,$)") perlab(i)           !weight percent
         end do
        do i=1,nqk
*ptx          write (iout1,"(1x,a12,$)") qklab(i)            !log q/k
          write (iout1,"(1x,a24,$)") qklab(i)            !log q/k
         end do
        write (iout1,"(' ')")       !carriage control (next line)
c-----------------------------------------------------------------
c
c  Reads each plot data set and output the data in the output file
c  ---------------------------------------------------------------

cc     do while (.not.eof(inp1))   !F95 compilers only - use iend instead
       iend=0                      !eof flag
       do

        do  k = 1,max7             !reset mineral variables for current step
          rmol(k)=0.
          per(k)=0.
          solf(k)=0.
          gra(k)=0.
        end do

        if(ipar_typ.lt.3) then
          call ReadPlotC(iend,ipar_typ)    !read one CHILLER/GASWORKS data set
        else
          call ReadPlotS(iend)    !read one SOLVEQ data set
         end if
        if(iend.eq.1) exit        !end of file
c
c      Output selected general parameters
        do i=1,npar
                write(iout1,"(3x,e10.4,$)") par(ipar(i))
        end do
c
c      Output selected gas fugacities
        do i=1,nfuga
*ptx                write(iout1,"(3x,e10.4,$)") fuga(ifuga(i))   !fugacity
                write(iout1,"(15x,e10.4,$)") fuga(ifuga(i))   !fugacity
        end do
c
c      Output selected data for aq. species
        do i=1, nmtry
*ptx          write (iout1,"(3x,e10.4,$)") rmtry(imtry(i))    !molality
          write (iout1,"(7x,e10.4,$)") rmtry(imtry(i))    !molality
        end do
        do i=1, nmtot
*ptx          write (iout1,"(3x,e10.4,$)") rmtot(imtot(i))   !total moles
          write (iout1,"(7x,e10.4,$)") rmtot(imtot(i))   !total moles
        end do
        do i=1, naqm
*ptx          write (iout1,"(3x,e10.4,$)") aqm(iaqm(i))      !total aq. molality
          write (iout1,"(7x,e10.4,$)") aqm(iaqm(i))      !total aq. molality
        end do
c
c      Output selected data for minerals
        do i=1,nmol
*ptx          write (iout1,"(3x,e10.4,$)") rmol(imol(i))/divmin(imol(i))      !mineral moles
          write (iout1,"(15x,e10.4,$)") rmol(imol(i))/divmin(imol(i))      !mineral moles
         end do
        do i=1,ngra
*ptx          write (iout1,"(3x,e10.4,$)") gra(igra(i))       !mineral grams
          write (iout1,"(15x,e10.4,$)") gra(igra(i))       !mineral grams
         end do
        do i=1,nsol
*ptx          write (iout1,"(3x,e10.4,$)") solf(isol(i))      !mineral solid sol. fraction
          write (iout1,"(15x,e10.4,$)") solf(isol(i))      !mineral solid sol. fraction
         end do
        do i=1,nper
*ptx          write (iout1,"(3x,e10.4,$)") per(iper(i))       !mineral weight percent
          write (iout1,"(15x,e10.4,$)") per(iper(i))       !mineral weight percent
         end do
        do i=1,nqk
*ptx          write (iout1,"(3x,f10.2,$)") qklog(iqk(i))      !mineral log q/k
          write (iout1,"(15x,f10.2,$)") qklog(iqk(i))      !mineral log q/k
         end do
        write (iout1,"(1x)")       !carriage control (next line)

      end do

c---  Finished output------------------------------

c     get here when eof reached

      close (unit = inp1)
      close (unit = iout1)
      write(*, "( //2x, ' .....Done!'/)")

      stop
      end


      subroutine Select(ipar_typ)
c**********************************************************
c     This routine allows the user to select the plot data
c     to tabulate.
c
c     ipar_typ =1 CHILLER  =2 GASWORKS  =3 SOLVEQ data
c
      include 'mintabdfx.inc'        !array dimensions, io numbers etc
      include 'mintabcmx.inc'        !common blocks, declarations
c
      integer iplt(max5)
c
      character*1     ans
*ptx      character*8     name, dummy
      character*8     dummy
      character*20    name
cjp      character*80   lineinp
      character*150   lineinp
c
      data icall/0/
       save icall           !flag: nb of time routine is called
      icall=icall+1
c
c
       if(icall.gt.1) then
         write(*,"(/5x,'Re-enter general parameters ? (default=no) :> '
     +     ,$)")
         read(*,"(a1)") ans
         if(ans.eq.'Y') ans='y'
      end if

       if(icall.eq.1.or.ans.eq.'y') then      !general parameters

c
c     Queries the user to select general parameters to tabulate (one or more)
c
        if(icall.eq.1) then                  !first time
          do i=1, max5
            ipar(i)=0
            parlab(i)='            '
          end do
        end if

        write (*,"(//5x,'General parameters to tabulate:'/)")

        do i=1,4
          write (*, "(12x,i1,' = ',A8,10x,i1,' = ',A8)")
     +    i,parlab0(i,ipar_typ),i+4, parlab0(i+4,ipar_typ)
        end do
c
        write (*, "(/5x,'Select a list of indexes:> '$)")
cjp        read(*,"(a80)") lineinp
        read(*,"(a150)") lineinp
        read (lineinp,*,end=111) (ipar(i), i=1,8)
111     continue
      end if
c
c     General parameters, assign labels
c
      do i = 1, max5
        parlab(i)=parlab0(ipar(i),ipar_typ)
        if(ipar(i).eq.0) then
          npar = i-1
          exit
        end if
      end do
c
c     Queries the user for other data to tabulate (one at a time)
c
      write (*, '( //5x, ''Other parameters:'')')

      if (ipar_typ.eq.1) then
           write (*, '( /12x, ''1 = Individual species molalities'',
     1                   /12x, ''2 = Total moles of components'',
     2                   /12x, ''3 = Total aqueous moles'',
     3              '' (total molalities of component species)'',
     4                   /12x, ''4 = Log Fugacities of gases'',
     5                   /12x, ''5 = Minerals''//)')
      elseif (ipar_typ.eq.2) then
           write (*,'( /12x,''1 = Individual species mole numbers'',
     1                   /12x, ''2 = Total moles of components'',
     2                   /12x, ''3 = Total gas moles'',
     4                   /12x, ''4 =   '',
     5                   /12x, ''5 = Minerals''//)')
      elseif (ipar_typ.eq.3) then
           write (*, '( /12x, ''1 = Individual species molalities'',
     1                   /12x, ''2 = Total moles of components'',
     2                   /12x, ''3 = Total aqueous moles'',
     3              '' (total molalities of component species)'',
     4                  /12x,''4 = Log(Q/K) of Minerals or Gases''//)')
      endif

      write (*, '(5x,''Enter one selection (return for none):> ''$)')
cjp      read (*,"(a80)") lineinp
      read (*,"(a150)") lineinp
      read (lineinp ,*) indy

      if(indy.eq.0) return         !done selecting
c
c     If the user had chosen to plot individual species molalities
c     then call the subprogram to get (or generate) the label file.
c     From this list of species, the user will be able to choose
c     the required species
c
      if (indy .eq. 1) then          !molalities
           write(*, '( //)')
           key = -1
           call GetLabels(key,imtry,nmtry,mtrylab,ipar_typ)

cc           do k=1,nmtry
cc             l=len_trim(mtotlab(k))
cc             mtotlab(k)(l+1:l+4)='_mly'
cc           end do

ccjp           do k=1,nmtry
ccjp             l=len_trim(mtrylab(k))
ccjp             mtrylab(k)(l+1:l+4)='_mly'
ccjp           end do

c-------------------------------------------------------

      elseif (indy .eq. 2) then            !total moles
           key = ibstot
           call GetLabels(key,imtot,nmtot,mtotlab,ipar_typ)
           do k=1,nmtot
             l=len_trim(mtotlab(k))
             mtotlab(k)(l+1:l+4)='_tot'
           end do
c
      elseif (indy .eq. 3) then           !total aqueous molalities
           key = ibstot
           call GetLabels(key,iaqm,naqm,aqmlab,ipar_typ)
           do k=1,naqm
             l=len_trim(aqmlab(k))
             aqmlab(k)(l+1:l+4)='_aqm'
           end do
c
      end if

c     CHILLER/GASWORKS data - minerals and gases
       if(ipar_typ.lt.3) then
c
        if (indy .eq. 4) then
           do i=1,max5
              fugalab(i)='        '
             ifuga(i)=0
           end do
           do k = 1, ngas
              write (*, '( 5x, i2, 5x, a8)') k, gasnam(k)
           end do
           write (*, "( //5x,'Enter list of gas indexes:> '$)")
cjp           read(*,"(a80)") lineinp
           read(*,"(a150)") lineinp
           read (lineinp,*,end=222) (ifuga(k), k = 1, max5)
222        continue

           do k = 1, max5
             if(ifuga(k).eq.0) then
               nfuga=k-1
               exit
               else
               fugalab(k)= gasnam(ifuga(k))
             endif
           end do
c
        elseif (indy .eq. 5) then
           do i=1,max5
              iplt(i)=0
           end do
c
           write (*, '( //5x, ''Available mineral data: ''/,
     1                 /12x, ''1 = Moles'', /12x, ''2 = Grams'',
     2                 /12x, ''3 = %'', /12x  ''4 = Mole Fraction''/)')
           write (*,"( 5x,'Enter one selection (return if none):> '$)")
cjp           read(*,"(a80)") lineinp
           read(*,"(a150)") lineinp
           read (lineinp,*) inmy
           minf = 1

cjp        do n = 1, 13
cjp           n1 = n + 13
cjp           n2 = n + 26
cjp           write (*, '( 3( 2x, i3, 2x, a8))')
cjp  1                  n, rname(n), n1, rname(n1), n2, rname(n2)
cjp        end do

           do n = 1, 20
              n1 = n + 20
              n2 = n + 40
*ptx              n3 = n + 60
*ptx              write (*, '( 4( 2x, i3, 2x, a8))')
*ptx     1                  n, rname(n), n1, rname(n1), n2, rname(n2),
*ptx     2                  n3, rname(n3)
              write (*, '( 4( 2x, i3, 2x, a20))')
     1               n,  rname(n), n1, rname(n1), n2, rname(n2)
           end do

           write (*,"( /5x,'Enter list of mineral indexes:> '$)")
cjp           read(*,"(a80)") lineinp
           read(*,"(a150)") lineinp
           read (lineinp,*,end=333) (iplt(i), i = 1, max5)
333        continue
c
           if (inmy .eq. 1) then         !moles minerals

             write (*, "( //5x, 'Which minerals do you want to',
     1                  ' divide, if any'/, 5x,'input mineral',
     2                  ' index and dividing factor (e.g. 6,5.0)')")
             do
cjp                   read(*,"(a80)") lineinp
                   read(*,"(a150)") lineinp
                   if(lineinp(1:1).eq.'') exit
                   read (lineinp,*,end=444) k, divmin(k)
444                continue
c               if (k .eq. 0) exit
               write (*, '( /5x, ''Mineral : '', a8,
     1                  '' divided by '', f8.3)') rname(k), divmin(k)
             end do
c
             do i=1,max5
               mollab(i)=rname(iplt(i))
               l=len_trim(mollab(i))
                      mollab(i)(l+1:l+4)='_mol'
               imol(i)=iplt(i)
               if(iplt(i).eq.0) then
                 nmol=i-1
                 exit
               end if
             end do
c
           elseif (inmy .eq. 2) then       !grams minerals
             do i=1,max5
               gralab(i)=rname(iplt(i))
               l=len_trim(gralab(i))
               gralab(i)(l+1:l+4)='_gra'
               igra(i)=iplt(i)
               if(iplt(i).eq.0) then
                 ngra=i-1
                 exit
               end if
             end do
c
           elseif (inmy .eq. 3) then       !percent minerals
             do i=1,max5
               perlab(i)=rname(iplt(i))
               l=len_trim(perlab(i))
               perlab(i)(l+1:l+4)='_per'
               iper(i)=iplt(i)
               if(iplt(i).eq.0) then
                 nper=i-1
                 exit
               end if
             end do
c
           elseif (inmy .eq. 4) then       !mole fractions
             do i=1,max5
               solflab(i)=rname(iplt(i))
               l=len_trim(solflab(i))
               solflab(i)(l+1:l+4)='_frc'
               isol(i)=iplt(i)
               if(iplt(i).eq.0) then
                 nsol=i-1
                 exit
               end if
             end do
           end if
        end if

c    SOLVEQ data - minerals log Q/K
      else
        if (indy .eq. 4) then
*ptx          nloop=nmin/65
*ptx          if(mod(nmin,65).ne.0) nloop=nloop+1
*ptx          istart=loop*65-64
*ptx           do n = istart, istart+12
*ptx              n1 = n + 13
*ptx              n2 = n + 26
*ptx              n3 = n + 39
*ptx              n4 = n + 52
          nloop=nmin/48
          if(mod(nmin,48).ne.0) nloop=nloop+1
          nqk=0
          do loop=1,nloop
          istart=loop*48-47
           do n = istart, istart+15
              n1 = n + 16
              n2 = n + 32

*ptx              write (*, '( 5( 2x, i3, 2x, a8))')
              write (*, '( 5( 2x, i3, 2x, a20))')
     1                  n, rname(n), n1, rname(n1), n2, rname(n2)
           end do
           write (*,"( /5x, 'Enter list of mineral indexes:> '$)")
cjp           read(*,"(a80)") lineinp
           read(*,"(a150)") lineinp
           read (lineinp,*,end=555) (iplt(i), i = nqk+1, max5)
555        continue
c
           do i=nqk+1,max5
              if(iplt(i).eq.0) then
                 nqk=i-1
                 exit
              end if
              qklab(i)=rname(iplt(i))
              l=len_trim(qklab(i))
                  qklab(i)(l+1:l+4)='_lqk'
              iqk(i)=iplt(i)
           end do
          end do
         end if

       end if

      return
       end


       subroutine open_old (iunit,default)
c**********************************
c     Opens an old file (By N.S. 5/98)
c
      implicit integer (i-n)
      implicit real*4 (a-h,o-z)
      logical exists
      character*80 filenam,default
c
      ifirst=1
      do
       if(ifirst.eq.0) write(*,"(/5x,'Enter another file name'
     +  ' (or q to quit):> '$)")
       ifirst=0
       read(*,"(a40)") filenam
       if(filenam.ne.' ') default=filenam
       if((filenam(1:1).eq.'Q'.or.filenam(1:1).eq.'q').and.
     +     filenam(2:2).eq.' ') stop
        inquire (file = default, exist = exists)
       if(exists) then
         open (unit=iunit,file=default,status='old',err=100)
         return
       endif
c
       write(*,"(5x,'Warning! File does not exist!'/)")
      end do
c
100   write(*,"(/'Error while opening the file - stop'/)")
      stop
      end


      subroutine open_new (iunit,default)
c**********************************
c     Opens a new file (By N.S. 5/98)
c
      implicit integer (i-n)
      implicit real*4 (a-h,o-z)
      logical exists
      character*80 filenam,default
      character*1 ans
c
      ifirst=1
c
  10  if(ifirst.eq.0) write(*,"(/5x,'Enter another file name:> '$)")
      ifirst=0
      read(*,"(a40)") filenam
      if(filenam.ne.' ') default=filenam
      inquire (file = default, exist = exists)
      if(exists) then
        write(*,"(/5x,'File already exists.  Replace ? (y/n) :> '$)")
        read(*,"(a1)") ans
        if(ans.ne.'Y'.and.ans.ne.'y') goto 10
      end if
      open (unit = iunit, file = default, status = 'unknown',err=100)
c
      return

100   write(*,"(/'Error while opening the file - stop'/)")
      stop
      end


        subroutine GetLabels(key,iplt,index,label,ipar_typ)
c*********************************************************
c       This subprogram displays the species on the screen.
c       The user can select any of these species for graphing
c       by selecting the corresponding keys.  The selected
c       list of species are then returned to min in order to
c       extract the selected data corresponding to each species.
c       GetLabels is called by the main program MINPLOT
c
c       iplt array of selected species indeces
c       nplt total number of species selected
c
        include 'mintabdfx.inc'        !array dimensions, io numbers etc
        include 'mintabcmx.inc'        !common blocks, declarations
c
        character*12 label(max5),dummy
*ptxxxx        character*16 label(max5),dummy
        character*20 fmt1, fmt2
cjp        character*80 lineinp
        character*150 lineinp
        integer iplt(max5)
c
        data fmt1(1:13) /'(1x,i3,1x,a8)'/
        data fmt2(1:16) /'(6(1x,i3,1x,a8))'/

        icount=nst
c--------------------------------------------------------------------
c    CHILLER/GASWORKS plot file only:
c     Open the label file and read the species names
      if(ipar_typ.lt.3) then
        open (unit = inp3, file = labelfil, status = 'old')
c
        icount = 1
        do
          read (inp3, fmt1,end=1000) num, specnam(icount)
          icount = icount + 1
        end do
1000    close (unit = inp3)

      end if
c
c    SOLVEQ file: specnam read earlier by call to ReadPlotS

c--------------------------------------------------------------------
c       Initialize the selection array to zero

        do k = 1, max5
           iplt(k) = 0
           label(k) = '            '
        end do
c--------------------------------------------------------------------

c       If the last entry key read is not equal -1 then adjust
c       the count of species by adding 2.

        if (key .ne. -1) then
           icount = key + 2
        endif

c--------------------------------------------------------------------

c       This part of the subroutine displays the species on
c       the screen and reads in the selections from the user.

        icount = icount - 2
        irows = icount / 6

cjp        if (mod(icount, 6) .eq. 0) then
cjp           irows =  icount / 6
cjp        else
cjp           irows = (icount / 6) + 1
cjp        endif

        inx = 1
        istart = 1

        do k = 1, irows
           if (mod(k, 21) .eq. 0) then

              write (*,"(//5x,'Enter list of species indexes:> '$)")
c
cjp              read(*,"(a80)") lineinp
              read(*,"(a150)") lineinp
              read (lineinp,*,end=111) (iplt(in), in = istart, max5)
111           continue
              index = istart
              do
                if (iplt(index) .eq. 0) exit
                index = index + 1
              end do
              istart = index
           endif
           write (*, fmt2) (j, specnam(j), j = inx, inx + 5)
           inx = inx + 6
         end do
c
        icols = icount - irows * 6
c
        if (icols .gt. 0) then
           write (*, fmt2) (j,specnam(j), j = inx, inx + icols - 1)
        endif
c

        if (mod(k, 21) .ne. 0) then
           write (*,"( //5x,'Enter list of species indexes:> '$)")
cjp           read(*,"(a80)") lineinp
           read(*,"(a150)") lineinp
           read (lineinp,*,end=222) (iplt(in), in = istart, max5)
222        continue
           index = istart
           do
              if (iplt(index) .eq. 0) exit
              index = index + 1
            end do
            index=index-1    !total number of indexes selected
        endif
c--------------------------------------------------------------------
        do j = 1, index
          label(j) = specnam(iplt(j))
        end do
c
        return
        end



        subroutine GenLabels(ipar_typ)
c************************************************************
c       Subroutine GenLabels is used to generate the label
c       file xxxxxPLT.LAB which stores the species' name and an
c       index corresponding to each species. It is used in
c       subroutine GetLabels to display a list of species
c       for the user to select from.
c       This subroutine is called from the main program MINPLOT
c       and is called whenever xxxxxPLT.LAB doesn't exist. The
c       label file is also used when graphing the legends.
*ptx Used for Chiller and Gasworks

        include 'mintabdfx.inc'        !array dimensions, io numbers etc
        include 'mintabcmx.inc'        !common blocks, declarations
c
        integer indx(max2)
*ptx blank8 now assigned elsewhere        character*8 intxt, species, blank8, inspec(500)
*ptx blanks not used       character*12 blanks,fil
        character*8 intxt, species, inspec(500)
        character*12 fil
c
        logical exists
c
*ptx blanks not used       data blanks  /'            '/
*ptx blank8 now assigned elsewhere        data blank8  /'        '/

c--------------------------------------------------------------------

c       Querry the user which output file was generated by CHILLER
c       to generate the xxxxxx.sum file.

        if (ipar_typ .eq. 1 ) then
           write (*, 30)
30         format (//4x, ' There is no label file for this data set '
     1             /4x, ' Enter output filename generated by CHILLER',
     2             /4x, '  (default = chillout.dat)  :> ',$)
           fil='chillout.dat'
           call open_old(iunit1,fil)
        else if ( ipar_typ .eq. 2) then
cjp           write (*, 31) fil
           write (*, 31)
31        format ( 4x, ' There is no label file for this data set '
     1             /4x, ' Enter output filename generated by GASWORKS',
     2             /4x, '  (default = gasout.dat)  :> ',$)
           fil='gasout.dat'
           call open_old(iunit1,fil)
        endif


c--------------------------------------------------------------------

c       Open and read this output file and read the portion of
c       the file where the list of species is located. Create
c       and write this information in the label file.

        write(*,"(/5x,'Enter the name of the label file to create'
     &  /5x,' (default = ',a12,'):> '$)") labelfil
        call open_new(inp3,labelfil)

100     continue
        read (iunit1, 40) intxt
40      format ( 2x, a8)

        if (intxt .ne. 'SPECIES ') go to 100

        read (iunit1, 40) intxt

200     continue
        read (iunit1, 50) species, index
50      format ( 2x, a8, i5)

        if (species .ne. blank8) then
           write (inp3, 60) index, species
60         format ( i4, 1x, a8)
           go to 200
        endif

300     continue
        read (iunit1, 70) intxt
70      format ( 4x, a8)

        if (intxt .ne. 'SPECIES ') go to 300

        read (iunit1, 70) intxt

        k = 0

400     k = k + 1

cjp            read (iunit1, 80) species, index, inspec(k), indx(k)
cjp80         format ( 4x, a8, i6, 23x, a8, i6)

        If (ipar_typ.eq.2) then
           read (iunit1, 888) species, index, inspec(k), indx(k)
888        format ( 4x, a8, i7, 24x, a8, i7)
        else
           read (iunit1, 80) species, index, inspec(k), indx(k)
80         format ( 4x, a8, i6, 23x, a8, i6)
        endif

        if (species .ne. blank8) then
           write (inp3, 60) index, species
           go to 400
        endif
              k = k - 1

        if (inspec(k) .eq. blank8) then
           k = k - 1
        endif

        do 500 j = 1, k
           write (inp3, 60) indx(j), inspec(j)
500     continue

c--------------------------------------------------------------------

cc       At the very end of our species list add pH with index 0
cc       if using Chiller data;  add f(O2) if using Gasworks data.
c
c        if ( gtype .eq. 'c' ) then
c           write (inp3, 90)
c90         format ( '   0 pH')
c        else if ( gtype .eq. 'g' ) then
c           write (inp3, 91)
c91         format ( '   0 f(O2)' )
c        endif

c--------------------------------------------------------------------

        close (unit = inp3)
        close (unit = iunit1)

        return

        end

       subroutine ReadPlotC(iend,ipar_typ)
c*******************************************************************************
c    This routines reads one set of the CHILLER or Gasworks plot file
c    (without first line and title lines, just the plot data
c    with blank line at the end).
c
c
      include 'mintabdfx.inc'        !array dimensions, io numbers etc
      include 'mintabcmx.inc'        !common blocks, declarations
c
*ptx      character*8     name, dummy
      character*20     name, dummy
c
c    Defaults for mineral parameters for this set
c    (in case some minerals not present at all steps)
      do n=1,nmin
        rmol(n) = 0.
        gra(n) = 0.
        solf(n) = 1.0
        per(n) = 0.
      end do
c
c    Read in first record of parameters
        read (inp1, '( 8e10.4)',end=1000) (par(i), i=1,max1)
c       The preceding statement reads the chillplt file general parameters
c        assigned as defined for parlab0(i,ipar_typ) in the BLOCK DATA
c        (for example,temp, pfluid, act(H+) etc..

c     converts aH+ to pH (needs a 'pH' label to work)
      do i=1,max1
       if(parlab0(i,ipar_typ)(1:2).eq.'pH') then
         par(i)=-alog10(par(i))
         exit
       end if
      end do

c    Read in data for aq. species
        read (inp1, '(8e10.4)') (rmtry(j), j = 1, nst)
        read (inp1, '(8e10.4)') (rmtot(j), j = 1, ibstot)
        read (inp1, '(8e10.4)') (aqm(j), j = 1, ibstot)

c    Read in the gas fugacities (logarithm)
        do n = 1,ngas
           read (inp1, '( i3,2x,a8,2x,f10.4)') j, gasnam(j), fuga(j)
        end do

c    Read in the mineral data
        nmin = 0
        do
          n = 0
          read (inp1, '( i3,2x,a8,2x,6e10.4)')
     &                        mm, name, rmil, rgr, rpr, rsol
          if (mm .ne. 0) then
            do
              n = n + 1
              if(n.ge.nmin) nmin=n
*ptx              if((name.eq.rname(n)).or.(rname(n).eq.blank)) exit
              if((name.eq.rname(n)).or.(rname(n).eq.blank20)) exit
                end do
c
            if(nmin.gt.max7) then
              write(*,"(/5x,'Number of minerals (max7) exceeded.'/
     &         ,5x,'Maximum allowed is: ',i3)") max7
              stop
            endif
            rname(n) = name
            rmol(n) = rmil
            gra(n) = rgr
            solf(n) = rsol
            per(n) = rpr
          else
             exit
          endif
        end do
c
c       Read in 2nd blank line at end of mineral list (marks end of dataset)
        read (inp1, '( a8)') name
c
*ptx        if (name .ne. blank) then
        if (name .ne. blank20) then
           write (*,"( //10x,'Error in reading CHILLER data file //')")
           close (unit = inp1)
           stop
        endif

      return
1000  iend=1      !end-of-file at top of set
      return
      end


      subroutine GenParam
c**********************************
c
c     This routine generates a table parameter file (.i.e. an ASCII file
c     with commands to automatically tabulate selected data.
c
      include 'mintabdfx.inc'        !array dimensions, io numbers etc
      include 'mintabcmx.inc'        !common blocks, declarations
c
      write(*,"(/5x,'Enter name of parameter file to create'
     & /5x,'(default = ',a12,') :> '$)") paramfil
      call open_new(inp2,paramfil)   !inp2 is output in this case

c      write(inp2,"('ipar_typ ',i1)") ipar_typ


c      General parameters
        do i=1,npar
                write(inp2,"(a12)") parlab(i)
        end do
c
c      Gas fugacities
        do i=1,nfuga
*ptx          write(inp2,"(a12)") fugalab(i)   !fugacity
          write(inp2,"(a24)") fugalab(i)   !fugacity
        end do
c
c      Selected aq. species
        do i=1, nmtry
*ptx          write (inp2,"(a12)") mtrylab(i)    !molality
          write (inp2,"(a16)") mtrylab(i)    !molality
        end do
        do i=1, nmtot
*ptx          write (inp2,"(a12)") mtotlab(i)   !total moles
          write (inp2,"(a16)") mtotlab(i)   !total moles
        end do
        do i=1, naqm
*ptx          write (inp2,"(a12)") aqmlab(i)      !total aq. molality
          write (inp2,"(a16)") aqmlab(i)      !total aq. molality
        end do
c
c      Selected minerals
        do i=1,nmol
*ptx          write (inp2,"(a12,f5.0)") mollab(i), divmin(imol(i))   !moles
          write (inp2,"(a24,f5.0)") mollab(i), divmin(imol(i))   !moles
         end do
        do i=1,ngra
*ptx          write (inp2,"(a12)") gralab(i)           !grams
          write (inp2,"(a24)") gralab(i)           !grams
         end do
        do i=1,nsol
*ptx          write (inp2,"(a12)") solflab(i)          !solid sol. fraction
          write (inp2,"(a24)") solflab(i)          !solid sol. fraction
         end do
        do i=1,nper
*ptx          write (inp2,"(a12)") perlab(i)           !weight percent
          write (inp2,"(a24)") perlab(i)           !weight percent
         end do
        do i=1,nqk
*ptx          write (inp2,"(a12)") qklab(i)            !log q/k
          write (inp2,"(a24)") qklab(i)            !log q/k
         end do
        write(inp2,"('endlist')")                  !end record
       return
       end


      subroutine ReadParam(ipar_typ)
c************************************
c
c     This routine reads the parameter file (.i.e. reads the file
c     containing info on the type of data to tabulate)
c     This file is run-independent and contains character strings
c     that tell mintab what data to tabulate as follows (in any order
c     except for ipar_typ
c
c     Plot type (must be first entry or defaults to 1!)
c       ipar_typ   type of plot file to read (1=chiller,2=gasworks, and
c                  3=solveq)
c
c
c     General parameters.  These must be identical to the labels
c     defined for array parlab0, currently:
c           Temp         temperature
c           Pfluid       fluid pressure
c           a(H+)        hydrogen ion activity
c           Mix.frac     mixing fraction
c           Tempc        temperature of mixing solution
c           Enthalpy     total enthalpy
c           Porosity     porosity
c           Gas_wt.%     gas weight percent of water+gas system
c
c     Aq. species, gases and mineral to select must have the
c     exact same name as in the soltherm data file, and must be
c     followed directly with the following strings:
c            _aqm    total aq. molality  e.g.  NaCl_aqm
c            _tot    total moles      e.g.  SO4--_tot
c            (blank) molality of individual species  e.g.  Cl-
c            _gra    gram mineral   e.g   quartz_gra
c            _mol    moles mineral, followed by division factor (optional)
c                   (div. factor 1 by default, separated by at least one blank)
c            _per    wt. percent minerals
c            _frc    mole frcation mineral solid solution
c
c    Final record (mandatory):
c            endlist  (or blank, or any record)
c
      include 'mintabdfx.inc'        !array dimensions, io numbers etc
      include 'mintabcmx.inc'        !common blocks, declarations
c
*ptx      character*12 string
      character*24 string
      character*80 record1
      integer ltrim
c
c     opens the parameter file
c
      write(*,"(/5x,'Enter name of parameter file to use'
     & /5x,'(default = ',a12,') :> '$)") paramfil
      call open_old(inp2,paramfil)
c
c     CHILLER/GASWORKS files only
      if(ipar_typ.lt.3) then
c      opens and reads the label file (aqueous species names)
c      (this file is run-dependent and created from main)
        open (unit = inp3, file = labelfil, status = 'old')
        icount = 1
        do
         read (inp3,"(1x,i3,1x,a12)",end=1000)
     &       indx, specnam(icount)
          icount = icount + 1
        end do

1000    close (unit = inp3)
      end if
c
c     SOLVEQ files: specnam was read by call to ReadPlotS earlier

c
c     initialize all table data index parameters
c
      npar=0       !number of general parameters to select
       nfuga=0      !number of gas species fugacity values to select
       nmtry=0      !number of species molality values to select
       nmtot=0      !number of components total moles values to select
       naqm=0       !number of species aq. molality values to select
       nmol=0       !number of mineral moles values to select
       ngra=0       !number of mineral grams values
       nsol=0       !number of mineral mole fraction values to select
       nper=0       !number of mineral weight percent to select
      nqk=0        !number of mineral log q/k

c      ipar_typ=1   !default

c     At this stage, nothing is selected

c
c     reads the parameter file and assigns the data to be tabulated
c     according to the content of the parameter file
c
      do                 !main loop (reads each record)
        iloop=0          !flag =1 to loop back to read next entry
        read(inp2,"(a80)",end=2000) record1
*ptx         string = record1(1:12)
         string = record1(1:24)
         write (*,*) string
c
c       checks plot type first, if none defaults to 1
c        if (string(1:8).eq.'ipar_typ') then
c          read(record1(10:80),*) ipar_typ
c          if(ipar_typ.lt.1.or.ipar_typ.gt.3) ipar_typ=1
c          iloop=1
c        end if
c        if(iloop.eq.1) cycle

c       checks for general parameters
        l=len_trim(string)    !length without trailing blanks
           do i=1,max1
              if(string(1:l).eq.parlab0(i,ipar_typ)(1:l)) then
                 npar=npar+1
                 ipar(npar)=i
                 parlab(npar)=string
                 iloop=1
                 exit
              end if
           end do
        if(iloop.eq.1) cycle
c       checks for aqueous species
        do i = 1, nst
cc        l=len_trim(specnam(i))
          ltrim=len_trim(specnam(i))
          l=len_trim(string)

          if(l.gt.4.and.string(l-3:l-3).eq.'_') l=l-4
cjp          if(string(1:l).eq.specnam(i)(1:l)) then
          if(string(1:l).eq.specnam(i)(1:ltrim)) then

c         found species match, check for type of data
            select case (string(l+1:l+4))

            case('_aqm')    !total aqueous molalities
              naqm=naqm+1
              iaqm(naqm)=i
              aqmlab(naqm)=string
              iloop=1
              exit

             case('_tot')    !total molalities
              nmtot=nmtot+1
              imtot(nmtot)=i
              mtotlab(nmtot)=string
              iloop=1
              exit

             case default    !molalities of actual species
              nmtry=nmtry+1
              imtry(nmtry)=i
              mtrylab(nmtry)=string
              iloop=1
              exit

             end select
           end if
         end do
        if(iloop.eq.1) cycle

c       checks for gases
        do i = 1, ngas
          l=len_trim(gasnam(i))
           if(string(1:l).eq.gasnam(i)(1:l)
     &         .and.string(l+1:l+1).ne.'_')  then

c         found gas match, check for type of data
                 nfuga=nfuga+1
             ifuga(nfuga)=i
             fugalab(nfuga)=string
             iloop=1
             exit
           end if
         end do
        if(iloop.eq.1) cycle

c       checks for minerals
        do i = 1, nmin
          l=len_trim(rname(i))
           if(string(1:l).eq.rname(i)(1:l)) then
c         found mineral match, check for type of data
            select case (string(l+1:l+4))

            case('_mol')    !moles of mineral
                  nmol=nmol+1
              imol(nmol)=i
              mollab(nmol)=string
              iloop=1
                     read(record1(l+6:80),*,end=100) divmin(i)
100            if(divmin(i).eq.0.) divmin(i)=1.0
                  exit

             case('_gra')    !grams of mineral
              ngra=ngra+1
               igra(ngra)=i
              gralab(ngra)=string
              iloop=1
               exit

             case('_per')    !wt. percent of mineral
              nper=nper+1
               iper(nper)=i
              perlab(nper)=string
              iloop=1
              exit

            case('_frc')    !wt. percent of mineral
              nsol=nsol+1
               isol(nsol)=i
              solflab(nsol)=string
              iloop=1
              exit

            case('_lqk')    !wt. percent of mineral
              nqk=nqk+1
               iqk(nqk)=i
              qklab(nqk)=string
              iloop=1
              exit

            end select
           end if
        end do
        if(iloop.eq.1) cycle
      end do

2000  close(inp2)
      return
      end


      subroutine ReadPlotS(iend)
c**********************************************************
c    This routines reads one set of the SOLVEQ output file
c    The top of each set is assumed to start with the
c    string '  Temperature:'
c
c
      include 'mintabdfx.inc'        !array dimensions, io numbers etc
      include 'mintabcmx.inc'        !common blocks, declarations
c
*ptx      character*8  name, dummy
      character*20  name, dummy
      character*80 record1
      character*25 string

c    Defaults for mineral parameters for this set
c    (in case some minerals not present at all steps)
      do n=1,nmin
         qklog(n)=-500.
      end do
c
c    Looks for the top of the data set (temperature record)
      do
        string='Temperature field'
        read (inp1, "(a80)",end=1000) record1
         if(record1(1:14).eq.'  Temperature:') exit
       end do
c     reads temperature
      read(record1(15:23),*) par(1)
c
c    Looks for water
      do
        string='Kg of water'
        read (inp1, "(a80)",end=1001) record1
         if(record1(1:8).eq.'  Water:') exit
       end do
*ptxc     reads alkalinity
*     reads kg H2O
      read(record1(9:19),*) rmtry(2)
c
c    Looks for alkalinity
      do
        string='Alkalinity field'
        read (inp1, "(a80)",end=1001) record1
         if(record1(49:58).eq.'Alkalinity') exit
       end do
c     reads alkalinity
      read(record1(61:73),*) par(2)
c
c    Looks for a(H+)
      do
        string='First H+ field'
        read (inp1, "(a80)",end=1001) record1
         if(record1(1:8).eq.'   1 H+ ') exit
       end do
c     reads a(H+)
      read(record1(43:54),*) par(3)
      par(3)=-alog10(par(3))  !get pH
c
c    Reads mtrys and species names
*ptx*      read(record1(1:28),"(i4,1x,a8,4x,e11.4)") indx,specnam(1),rmtry(1)
      read(record1(1:30),"(i4,1x,a12,1x,e12.4)")
     +    indx,specnam(1),rmtry(1)
*ptx*      read(inp1,"(i4,1x,a8)") indx, specnam(2)
      read(inp1,"(i4,1x,a12)") indx, specnam(2)
c
       do i=3,max2
*ptx*         read(inp1,"(i4,1x,a8,4x,e11.4)") indx,specnam(i),rmtry(i)
         read(inp1,"(i4,1x,a12,1x,e12.4)") indx,specnam(i),rmtry(i)
         if(indx.eq.0) exit
      end do
      nst=i-1
c
c    Looks for list of comp. species, starting with H+
      do
        string='Second H+ field'
        read (inp1, "(a80)",end=1001) record1
         if(record1(1:8).eq.'   1 H+ ') exit
       end do
c     reads a(H+)
*ptx*      read(record1(1:39),"(i4,1x,a8,2x,2e12.4)")
      read(record1(1:43),"(i4,1x,a12,2(1X,e12.4))")
     +        indx,dummy,aqm(1),rmtot(1)

c
c    Reads total molality and moles
       do i=2,max4
*ptx*        read(inp1,"(i4,1x,a8,2x,2e12.4)")
        read(inp1,"(i4,1x,a12,2(1x,e12.4))")
     +        indx,dummy,aqm(i),rmtot(i)
        if(indx.eq.0) exit
      end do

      ibstot=i-1

c    Reads the mineral data
c    looks for +++++++ line
      do
        string='++++++ after species data'
        read (inp1, "(a80)",end=1001) record1
         if(record1(1:12).eq.'  ++++++++++') exit
       end do
c     Now we are either at the top of the mineral list
c     or at the top of the next set if there are no mineral list.
c     Check for mineral header:
      read(inp1,"(/////a80)") record1
       if(record1(1:9).ne.'  Mineral') return
       read(inp1,"(a1)") dummy     !skips blank line

       nmin = 0        !initialize number of minerals

       do k=1,2      !two passes for each mineral set (supersat+undersat)

        do          !loop reading through minerals
          n = 0
          string='Mineral names'
          read (inp1,"(a80)",end=1002) record1
*ptxdebug        write (*,*) record1
*ptx          if (record1(1:8).eq.blank) exit
          if (record1(1:8).eq.blank8) exit
          if (record1(1:4).eq.'    ') exit    !case if other text
c          if (record1(15:21).eq.'skipped') exit    !case if no data at high T
*ptx          read(record1(1:39),"(2x,a8,20x,f9.2)") name, qkdat
          read(record1(1:55),"(2x,a20,23x,f10.4)") name, qkdat
*ptxdebug         write (*,'(a1,8a10)') 'x',(record1(10*i+1:10*i+11), i = 0,14)
*ptxdebug         write (*,"(a20,2x,f10.4)") name, qkdat
*ptxdebug         pause
          do
            n = n + 1
            if(n.ge.nmin) nmin=n
*ptx            if((name.eq.rname(n)).or.(rname(n).eq.blank)) exit
            if((name.eq.rname(n)).or.(rname(n).eq.blank20)) exit
              end do
c
          if(nmin.gt.max7) then
            write(*,"(/5x,'Number of minerals (max7) exceeded.'/
     &       ,5x,'Maximum allowed is: ',i3)") max7
            stop
          endif
          rname(n) = name
          qklog(n) = qkdat
        end do
c
c    At this point, we reached a blank line.  Check to see if there
c    is another list of minerals (i.e. UNDERSATURATED ONES)
c
        read(inp1,"(a80)", end=1002) record1
        if(record1(21:34).ne.'UNDERSATURATED') exit
        string='Undersaturated minerals'
        read(inp1,"(//a80)",end=1001) record1    !skip to top of undersat minerals
      end do
c
c    Finished reading one set
c
1002  return

1000  iend=1      !end-of-file when reading top of set
      return

1001  write(*,"(//5x,'End-of-file encountered when looking for:',
     +      a25/5x,'in SOLVEQ output file'/)") string
      stop
      end