C-----Version: 11.02.2015

Format of file thhelp.txt (don't change the name of this file; it is hard-coded)
--------------------------------------------------------------------------------

Significant lines in this file are only those enclosed in a block of the 
form 
  $BLOCKNAME
  ......... 
  .........
  $END

  $BLOCKNAME is the only argument passed to subroutine HelpMe from the 
calling program unit. For example 
         Call HelpMe('$DOM-SCRIPT')
To be valid, the block-delimiting strings $BLOCKNAME and $END should begin at 
position 1 of the line. Significant lines are shown on screen just as they are 
written here. For convenience of reading on screen, significant lines should 
not be longer than 80 chars. Screen paging of lengthy blocks can be achived 
by empty lines with character § at position 1. Such lines are not shown on 
screen, but cause subroutine HelpMe to stop listing the block and ask the user to 

'Hit any key to continue!' 

This file is help for all programs. For easy book-keeping, blocknames begin
with something identifying the program followed by a string from the context
of the help requested, see below. 

START OF HELP INFORMATION
--------------------------------------------------------------------------------

$GENERAL
PLEASE NOTE !

Input may be a (case sensitive) keyword, a file name or just striking a key.

   Valid keywords are enclosed in " ". They may need additional input parameters.
   Alternative keywords are given in [ ] and are separated by |.  
   CR is the "Carriage Return" or "Enter" key.
   Input of last run is given within < >.
   Where indicated, enter "?" for help !

If you don't need this information any more, edit file 'theriak.ini' 
and set $GHELP= to value 0.

$END

$THK-START
--------------------------------------
Help: database definition ($THK-START)
--------------------------------------

     CR                  : to accept <last input> (if any) and continue.

     "files"             : to see the default names, types and descriptions 
                           of files associated with the program. You may
                           change these defaults by editing file theriak.ini 
                           with a common text editor.

     database filename   : file name of database to be used (dbs-file).

NOTE!
Depending of your operating system, file names may be case sensitive !
------------------------------------------------------------------------------

$END

$THK-SPECIAL
------------------------------------------------
Help: define type of calculations ($THK-SPECIAL)
------------------------------------------------
    
   "no"      : Do no special calculations, just calculate with T and P values
               defined in your dat-file.

    CR       : Accept the last run entry enclosed in < >.

    "bin" s  s1: Calculate a pseudo-binary in "s" steps (default = 100) using  
                 the 'endmember' bulk compositions defined in your dat-file. 
                 In this case, all variables are written into the tab- and tcp-files 
                 (see note below). Gmix (Gtot transformed to be 
                 0 for x=0 and x=1) is written into the bin-file.
                 if s1 not zero (or blank): calculate only loop s1 (for testing purposes)

    "loop"   : Prompts for new T and P values after each calculation.

    file name: If the input is not recognized as one of the keywords above,
               it is interpreted as the name of a drv-file. This file
               drives equilibria calculations, e. g., along a given PT-path. 
               It may contain the following directives:
§
    "REF" t1  p2         : defines the eqilibrium assemblage at the reference
                           t1, p2. This is the  "reference assemblage" adding
                           the variable "G_overstep" to the tab- and tcp-files. 


    "COMP"  formula  use : Defines the bulk composition for the calculations.
                           "formula" and "use" follow the same format as
                           in dat-files.
                           Example:
                          
                                COMP   SI(3)AL(1)MG(3)K(1)O(12)H(2)   *

    "ADD"  formula       : Adds the given formula to the current bulk com-
                           position. The amounts may be negative, but only so
                           much will be substracted that all components 
                           remain >= 0. Example:

                                ADD   H(20)O(10)

    "REMOVE"  phase  p   : After each of the following calculations, the com-
                           position of stable "phase" will be (partly) removed
                           from the bulk. "p" is the percentage of "phase" that
                           is to be removed. Example:

                                REMOVE  GARNET  100

     "TP"  t2  p2  s     : Calculates equilibria along a linear TP-path. T and
                           P change between the current values t1, p1 and t2, p2.
                           The current values t1, p1 are input 
                              1. either from the dat-file, 
                              2. or from a preceeding "TP" or "REF" directive  
                           within the drv-file. 
                          "s" is the number of calculation steps (default= 1) 
                           along the path. All variable values for each step are 
                           written into the tab- and tcp-files. Example: 

                                TP   800   5000   10
NOTE: 
A tab-file is a comma-delimited table of all variable values that are
calculated at every step. It can be read by most spreadsheet programs (e.g. 
"Excel"). A tcp-file is simmilar and can be used as input to program 
"TecPlot". 
-------------------------------------------------------------------------------

$END

$THK-LOOP
-----------------------------------
Help: enter new T and P ($THK-LOOP)
-----------------------------------

      CR           : stop looping and exit THERIAK.

      "end"        : Same as CR.
      
      T(C)  P(bar) : start a new calculation with new T and P values.
---------------------------------------------------------------------

$END

$DOM-SCRIPT
---------------------------------------
Help: database definition ($DOM-SCRIPT)
---------------------------------------

      CR                : to use the thermodynamic database used in the
                          last run and run DOMINO interactivelly.  

      "files"           : to see the default names, types and descriptions 
                          of files associated with the program. You may
                          change this default beaviour by editing file 
                          "theriak.ini".                 

      database filename : to define the database file name (dbs-file).

      "script"          : to start creating script files (spt-file) 
                          that are used to run DOMINO unattended (e.g. over-
                          night). For more information about scripting, see 
                          below.
                         
NOTE: Depending of your operating system, input might be case sensitive !
§

DOMINO-SCRIPTING
----------------

DOMINO can be instructed to calculate many different phase diagrams 
non-interactively, for example overnight. For each of these phase diagrams, 
the input normally needed by DOMINO, e.g. name of the database, definition 
of X and Y axis, calculation parameters etc., must be prepared and saved in 
a SCRIPT file (spt-file) beforehand. The names of script files may
be defined individually, or are generated by default as files named 
"scriptXX.spt", where XX is an integer between 01 and 99. Each of the script 
files substitutes for the keyboard, i.e. for your responses to questions 
that DOMINO normally asks you. So, you may let DOMINO do its job unattended 
without you being present and answering the questions. The script files 
may be executed by means of an executable BATCH JOB file. 

§

Structure of the executable batch files
---------------------------------------

By default, the name of this executable file is as follows.

   Unix/Linux/Mac : domjob  (might need setting the execute attribute before 
                             execution, e.g. "chmod u+x domjob")
   DOS-Win        : DomJob.bat

During execution, you have the possibility to give the batch job file a name 
of your choice. In this case, the SCRIPT files are accordingly named and 
numbered sequentially. For example, if you defined the name of the BATCH JOB 
file as

         myplot,
                     
the SCRIPT files to be created will be named as

         myplot01.spt, myplot02.spt, myplot03.spt etc. ...

The executable BATCH JOB file "myplot.bat" (DOS, Windows) or "myplot" (Unix 
and derivates) will contain then the following records:

        domino < myplot01.spt
        guzzler  myplot01.plt   myplot01.cln  myplot01.rxn
        explot   myplot01.cln   myplot01.ps
        domino < myplot02.spt
        guzzler  myplot02.plt   myplot02.cln  myplot02.rxn
        explot   myplot02.cln   myplot02.ps
        etc.

The first of these records calls DOMINO and instructs it that the information
it needs for calculation of phase diagram myplot01 is provided by script file 
"myplot01.spt". The graphics data will be written into a plt-file 
having the name myplot1.plt. This is given as input argument to gropram  
GUZZLER in the second line. GUZZLER will create appropriately named files 
that, again, are input arguments to program EXPLOT in the third line. The 
final result will be a PostScript file named myplot01.ps.

NOTE: BATCH JOB files may be edited carefully with any text editor!

§

Structure of SCRIPT files
-------------------------

Each script file contains records with the following information needed by
DOMINO. Text in parentheses are comments.

    script.myplot1.spt  (keyword "script." is diagnostic, don't change!)
    myplot1.plt     (graphics output file name)
    name of database
    calculation parameters
    1 to 6 lines of chemical information from file THERIN; 2-6 are mostly empty)
    definition of X-axis variable
    definition of Y-axis variable
    type of calculation
    choice of labels
    T and P if constant
    folder name for pixel map information

NOTE: SCRIPT files may be edited carefully with any text editor!

Here is an example of a SCRIPT file:
    script.script01.spt
    script01.plt
    jun92bs.txt
        1.0 350 0.01 0.1E-08 0.1E-06 0.1E+01 0.1E-04 25 15 100
    0   AL(2)SI(1)O(?)     *   this calculates the triple point





    TC  300  1000
    P  1  10000
    .
    1
    0.0000000E+00   0.0000000E+00
    _script01_pix\
End of example
----------------------------------------------------------------------------------
$END

$DOM-SCR_JOB
------------------------------------------
Help: creating job file ($DOM-SCR_JOB)
------------------------------------------

      CR         : to accept the proposed job filename and 
                   continue creating SCRIPT files.
                   
      new name   : define a new job filename and 
                   continue creating SCRIPT files.
-------------------------------------------------------------------------------
$END

$DOM-SCR_SCR
------------------------------------------
Help: creating script file ($DOM-SCR_SCR)
------------------------------------------

      CR         : to accept the proposed script name and 
                   continue creating SCRIPT file.
                   
      new name   : define a new script name and 
                   continue creating SCRIPT file.
                           
      "end"      : to stop creating SCRIPT files and exit DOMINO. 
-------------------------------------------------------------------------------
$END

$DOM-XAXES*
X-variable may be: TC, TK, P, A(abc), LNA(abc), LOGA(abc), BIN, TER
$END

$DOM-XAXES
---------------------------------------
Help: definition of X-axis ($DOM-XAXES)
---------------------------------------

Valid input for X-varible are:

    "TC"         : Temperature in deg. C.
    "TK"         : Temperature in K.
    "P"          : Pressure in bar.
    "A(abc)"     : Activity of phase abc.
    "LNA(abc)"   : Natural logarithm of activity for phase abc (phase name abbreviation).
    "LOGA(abc)"  : Logarithm of activity for phase abc (phase name abbreviation).
    "BIN"        : Binary (compositions are taken from input file (dat-file)).
    "TER"        : Ternary (compositions taken from input file (dat-file)).

Arguments should be delimited by at least two spaces. Parameters enclosed in 
parentheses are optional. If ommited, their default values will be used. 

NOTE: "abc" is the case sensitive abbreviation of a phase referred in the 
      thermodynamic database. (The phase is usually an endmember of a solution,
      but may be any non-solution phase)
      
Examples:
            TC  400  800
            LNA(Ab)  0.5   1.2
-----------------------------------------------------------------------------------
$END

$DOM-YAXES*
Y-variable may be: TC, TK, P, PT, THG, A(abc), LNA(abc), LOGA(abc), BIN
$END

$DOM-YAXES
---------------------------------------
Help: definition of Y-axis ($DOM-YAXES)
---------------------------------------

Valid input for Y-varible are:

    "TC"         : Temperature in deg. C.
    "TK"         : Temperature in K.
    "P"          : Pressure in bar.
    "PT"         : Temperature in deg. C, with P bound to geothermal gradient,
                   used by Bucher & Frey (1991) 
                   P=1062.091685+2.567123*TC+0.01085*TC**2).
    "THG"        : (thermal gradient) Temperature in deg. C, with P bound to 
                   thermal gradient: P=(TC-25.0D0)*THGR+1.0D0
    "A(abc)      : Activity of endmember abc.
    "LNA(abc)"   : Natural logarithm of activity for endmember abc.
    "LOGA(abc)"  : Logarithm of activity for endmember abc.
    "BIN"        : Binary (compositions are taken from dat-file).

Arguments should be delimited by at least two spaces. Parameters enclosed in 
parentheses are optional. If ommited, their default values will be used. 

NOTE: "abc" is the case sensitive abbreviation of a phase referred in the 
      thermodynamic database. (The phase is usually an endmember of a solution,
      but may be any non-solution phase)

Examples:
            P  1000  10000
            LNA(Ab) 0.5  1.2
-----------------------------------------------------------------------------------
§
$END

$DOM-ISO*
to calculate                          enter
------------                          -----
equilibrium phase diagram              "." (dot)
isolines:
   special funtions:                          Key      min  max  step
   non-solution phases:                Name   Key      min  max  step
   solution phases:                    Name   Key  Nr  min  max  step

For help with isoline definition type "i".

$END

$DOM-ISO
---------------------------------
Help: calculation type ($DOM-ISO)
---------------------------------
Enter
     
     "list"  : to list names for phases, endmembers and solutions
               in the database.
               
     "point" : Allows to calculate equilibria for individual x-y-values. 
               (seful when x or y is "BIN", LOGA(..) etc.)
               
     "."     : to calculate an equilibrium phase diagram.

For isopleths calculation, input of the following forms must be entered.

     Key             min  max  step     (Form 1 for bulk rock properties)
     Name  key       min  max  step     (Form 2 for non-solution phases)
     Name  Key  Nr   min  max  step     (Form 3 for solution phases)

where

    Name         : Is the name of a pure endmember or solution phase. 
                   You may list the valid names by entering "list".
                    
    Key          : Is one of the keywords listed below.
    
    min max step : Is the minimum, maximum and step values for the isolines. 
                   The maximum number of isopleths calculated is 50.
                                           
    Nr           : If more than one phase of the same solution is stable, the 
                   phase with the highest "Key"-value is numbered 1, the next 
                   lower is numbered 2 and so on.

Note: All input arguments must be delimited by at least 2 spaces.
§

ISOPLETH KEYWORDS
=================

   Bulk rock properties (Form 1:             "Key         min  max  step")
   _______________________________________________________________________

      Volume of solids [ccm]               : "volsol"
      Weight of solids [g]                 : "wtsol"
      Density of solids [g/ccm]            : "rhosol"
      Total Gibbs Free Energy [J]          : "gtot"
      Wt% of H2O in solids                 : "%h2o.sol"  

   Non-solution phase properties (Form 2:   "Name   Key    min  max  step")
   ________________________________________________________________________

      Amount of phase abc [mol]            : abc    "mol"   
      Volume of phase abc [ccm]            : abc    "vol"  
      Molar volume of phase abc [ccm/mol]  : abc    "mvol"  
      Weight of phase abc [g]              : abc    "wt"    
      Molar weight of phase abc [g/mol]    : abc    "mwt"   
      Density of phase abc [g/ccm]         : abc    "rho"  
      Volume% of phase abc (% of solids)   : abc    "vol%"  

   Solution phase properties (Form 3:       "Name   Key         Nr  min  max  step")
   _________________________________________________________________________________

      Isopleths [mol fractions]            : abc    species     Nr  
      Site occupancies                     : abc    El(site)    Nr  
      Amount of phase abc [mol]            : abc    "mol"       Nr 
      Volume of phase abc [ccm]            : abc    "vol"       Nr 
      Molar volume of abc phase [g/mol]    : abc    "mvol"      Nr  
      Weight of phase abc [g]              : abc    "wt"        Nr  
      Molar weight of phase abc [g/mol]    : abc    "mwt"       Nr 
      Density of phase abc [g/ccm]         : abc    "rho"       Nr 
      Ratio Mg/(Mg+Fe) of phase abc        : abc    "Mg#"       Nr 
      Volume% of phase abc (% of solids)   : abc    "vol%"      Nr

Note: abc and species are case sensitive names or abbreviations of phases and endmembers
§

Summary
=======
      
To calculate                          enter
------------                          -----
An equilibrium phase diagram          "." (dot)

Property isopleths of
   Bulk rock                                  Key      min  max  step
   Non-solution phases:                Name   Key      min  max  step
   Solution phases:                    Name   Key  Nr  min  max  step      
      
Examples for isopleths: 
-----------------------
To plot grossular isopleths in garnet between 0.3 and 0.6 in steps of 0.02
           
                  GARNET  Grs  1   0.3  0.6  0.02
                  
To plot iso-density lines of quartz (non-solution phase)
between 2.5 and 2.7 in steps of 0.02

                  A-QUARTZ  rho   2.5   2.7   0.02
                  
To plot iso-density lines of feldspar (solution phase)
between 2.5 and 2.7 in steps of 0.02
           
                  FSP  rho   1  2.5   2.7   0.02
                  
To plot Wt% of H2O in solids between 0 and 10 in steps of 0.5
           
                  %h2o.sol    0   10   0.5
-----------------------------------------------------------------------------
§
$END

$DOM-ISO1

If more than one phase of the same solution is stable, the 
phase with the highest "Key"-value is numbered 1, the next 
lower is numbered 2 and so on.

$END

$DOM-LABEL*
Labels: 1=assemblages, 2=new phases, 3=reactions, -1=special
$END

$DOM-LABEL
----------------------------------------
Help: labeling of reactions ($DOM-LABEL)
----------------------------------------
define the way reactions are labeled in the diagram. 

The input is:     "Label  (prec  smooth)"

Parameters in parentheses may be ommitted.
All input arguments must be delimited by at least two spaces.

"Label" can take the following values.
 
     "1"   For labeling reactions on each side with the stable assemblage, e.g. 
                  A B C = A B D
     "2"   For labeling reactions only by new phases produced, e.g. 
                  (C) = (D)
     "3"   For labeling reactions with a balanced equation, e.g. 
                  A + 2 B + C = 3 D
           If more than one reaction is involved, the coefficients are 
           ommitted, e.g. 
                  A B C = D

"prec"    is the precision in cm, (default=0.005). 
"smooth"  is the smoothness in cm, (default=0.04).
-----------------------------------------------------------------------------
§
$END


$GUZ-CALL
-------------------------------------------------------------
Help: running guzzler with command line arguments ($GUZ-CALL)
-------------------------------------------------------------

    GUZZLER can be called with as much as three command line arguments, i.e.

        guzzler  in-file  out-file  rxn-list

    where

        in-file:  Graphics file from DOMINO and TWEEQU
        out-file: Tided-up file
        rxn-list: list of reactions or assemblages

    If no command line arguments are passed, GUZZLER runs interactively
    and asks the user for the input file name, labels size etc. The  out-
    file and rxn-list are assigned their default file names defined in
    file "theriak.ini".

    If less than three command line arguments are passed, those files not 
    explicitly defined are assigned the default file names.
$END


$GUZ-START
----------------------------------
Help: running guzzler ($GUZ-START)
----------------------------------

     CR                  : to accept <last input> (if any) and continue.

     graphics file name  : name of a graphics file to be used as input.
--------------------------------------------------------------------------------
$END

$GUZ-SIZE
----------------------------------
Help: size of labels ($GUZ-SIZE)
----------------------------------

     CR               : to accept <last input> (if any) and continue.

     size of labels   : (in cm) useful value for most purposes is 0.2

--------------------------------------------------------------------------------
$END

$GUZ-LABELS
labeling: CR=automatic   "0"=change global option    r1,r2...=reaction numbers
$END

$GUZ-LABEL
------------------------------------------
Help: GUZZLER labeling method ($GUZ-LABEL)
------------------------------------------

      CR            : to accept the default labeling method (see below).

      "0"           : to change the labeling method (see below).

      r1,r2, ...    : to specify which reactions need special label handling.
                      r1, r2, etc. are comma-sepparated  reaction numbers from
                      the list printed earlier on screen.

Labeling methods
----------------

The internal code for labels is:

     3: Full labels writen along line.
     2: Reaction number written in line
     1: Reaction number written offset, connected to curve with a fine line
     0: Line is not labeled
     
The default method is (3). If a label overlaps with others, method (2) is used. 
If labels still interfere, method (1) is applied, and finally if there is no 
room for a number near the line, it remains unlabeled.

Generally, a reaction line shorter than 0.02 cm (=minimum length) is not 
labeled.
--------------------------------------------------------------------------------
§
$END

$GUZ-GLOBS
Most important options for labeling:
 -3: automatic (default)      0: no labels or numbers      5: no offset numbers
$END
--------------------------------------------------------------------------------

$GUZ-GLOB
---------------------------------------------------------
Help: GUZZLER set global option for labeling ($GUZ-LABEL)
---------------------------------------------------------

The global option is used to simplify later editing of the plot with a 
PostScript editor. Generally, a reaction line shorter than the minimum length
(default = 0.02 cm) is not labeled.

The options are:
-3: (default) Write as much information as possible on the diagram.
 3: Force full labels on every curve. This may be useful, if few lines are
    present and the overlapping labels are to be moved manually with an editor.
-2: Use only numbers (no text-labels). The numbers may be either in the curve 
    or offset.
 2: Force the reaction numbers to be written in each curve.
-1: (force offset numbers, option not recommended)
 1: (use offset numbers only, option not recommended)

 0: Do not label curves. This option removes all labels and produces a clean
    diagram which can be labeled and colored manually.
 5: No offset numbers. This option produces a nice readable diagram.
    Short lines will not be labeled.
 4: Label all curves with either full text-labels or with numbers in line.
--------------------------------------------------------------------------------
§
$END

$EXP-START
Enter

     "files"                  : to see the files associated with the program.

     graphics input file name : to define the requested plt- or cln-file name.
$END

*****************************************************************************************
HELP TEXT FOR THALIA
*****************************************************************************************

$THA-START
---------------------------------------
Help: define database name ($THA-START)
---------------------------------------

     CR                       : to accept <last input> (if any) and continue.
     
     "files"                  : to see the files associated with the program.

     database filename        : file name of database to be used (dbs-file).
-----------------------------------------------------------------------------------
$END

$THA-XS
X-variable may be: TC, TK, 1000/K, P
$END

$THA-X
--------------------------------
Help: define X-variable ($THA-X)
--------------------------------
Define X-variable by choosing:

    TC      : Temperature in deg. C
    TK      : Temperature in K
    1000/T  : (1000/T) Temperature in K
    P       : Pressure in Bar
    X       : to plot G-X, mi-X, a-X diagrams
    

By entering "X", you will be asked later for solution phase and compositions.
-----------------------------------------------------------------------------
$END

$THA-Y1S 

Y-variable definition possibilities
-------------------------------------------------- 
G       V      CP      H      S      LNK   LOGK  K
G-G0    V-V0   CP-CP0  H-H0   S-S0 
G.CP           CP.CP   H.CP   S.CP 
G.DIS   V.DIS  CP.DIS  H.DIS  S.DIS 
G.TR    V.TR   CP.TR   H.TR   S.TR    
G.VOL   V.VOL 
G.GAS   V.GAS
$END

$THA-Y1L
----------------------------------
Help: define Y-variable ($THA-Y1L)
----------------------------------
Here you may enter the following:

    "B"   : to moove 1 step back

    "end" : terminate program

or define the Y-variable by choosing:

The following "standard" thermodynamic functions,     
    CP  : for Heat capacity       
    H   : for Enthalpy       
    S   : for Entropy       
    V   : for Volume       
    G   : for Gibbs free energy
    LNK : for -G/RT  
    LOGK: for -G/(RT*ln10)
    K   : for exp(-G/RT) 
§ 
or delta functions in respect to 25 C, 1 Bar,
    G-G0     V-V0     CP-CP0     H-H0     S-S0     

or Cp-integral value in functions
    G.CP              CP.CP      H.CP     S.CP     
    
or disorder contribution in functions,
    G.DIS    V.DIS    CP.DIS     H.DIS    S.DIS    

or contribution from lamda transition
    G.TR     V.TR     CP.TR      H.TR     S.TR     

or contribution from volume-function,   
    G.VOL    V.VOL 
                            
or contribution from gas-function.
    G.GAS    V.GAS
§

Input examples:
    G-G0
    G-G0/xx
     
In the second example, the function value will be devided by xx,
where xx is any non-zero number.
------------------------------------------------------------------
$END

$THA-FORMU
---------------------------------
Help: define formula ($THA-FORMU)
---------------------------------
Here you may enter the following:

    "B"   : to moove 1 step back

    "end" : to terminate the program

or a single phase name or formula. In the latter case, follow rules below.

    n1 A + n2 B + C - n4 D - E ...

where

    A, B, C ... are the phase name abbreviations 
    n1, n2 ... are the stoichiometric coefficients (if 1 may be omitted)

    All items in the formula must be separated by one blank space
---------------------------------------------------------------------------
$END

$THA-SOL
--------------------------------------
Help: define solution phase ($THA-SOL)
--------------------------------------
     CR                   : to accept <last input> (if any) and continue.

     "end"                : to terminate the program
     
     solution-name        : name of solution phase.
----------------------------------------------------------------------------
$END


$THA-ENDCOMP
----------------------------------------
Help: define compositions ($THA-ENDCOMP)
----------------------------------------
Here you may enter the following:

    "B"   : to moove 1 step back

    "end" : to terminate the program

or define the "binary endmember" cmpositions of your diagram. These
"binary endmember" compositions may be 

        (a) either two of the pure endmembers available for the selected
            solution (see list on screen!) or 

        (b) "mol fraction mixtures" thereof. 

For example, if the solution is feldspar, the listed available pure 
endmembers will be 

     ab     kfs   an

Your first "binary endmember" might then be
     1      0     0
and your second
     0      0     1

Alternatevely, you may define mixtures for your endmembers, e.g.
     0.7    0    0.3
     0.5    0    0.5

Note: All concentrations should be positive. (Negative numbers will be
set to 0.) The numbers in each row will be normalized to a sum of 1.
----------------------------------------------------------------------
$END

$THA-Y2L
----------------------------------
Help: define Y-variable ($THA-Y2L)
----------------------------------
Here you may enter the following:

    "b"   : to move 1 step back (Define a new solution)

    "end" : to terminate the program


or define the Y-variable that may be

    "G"      : Total Gibbs free energy (Gmech + Gconf + Gexs)
    "GR"     : Total Gibbs free energy (Sum(X(i) * mue(i))

    "GCON"   : Configurational contribution to G. (may contain
               non-ideal contributions if G is calculaed in an
               external subroutine)

    "GEX"    : Excess G-contribution. (may contain configurational 
               contributions if G is calculaed in an external subroutine)
    "GREX"   : GREX=GR-GMECH-GCONF

    "GMIX"   : Gibbs free energy of mixing

    "MUE"  n : Chemical potential of n-th endmember

    "ACT"  n : Activity of n-th endmember
--------------------------------------------------------------------------
$END

$THA-Y2S
Y-variable may be: G, GCON, GEX, GMIX, MUE  n, ACT  n 
$END

$THA-PT
------------------------------
Help: define T and P ($THA-PT)
------------------------------
Here you may enter the following:

    "B"    : move 1 step back (Define a new Y-variable)

    "end"  : to terminate the program

     T  P  : Temperature in deg. C and pressure in Bar.
--------------------------------------------------------------------
$END

$THB-START
---------------------------------------
Help: define database name ($THB-START)
---------------------------------------

     CR                  : to accept <last input> (if any) and continue.

     "files"             : to see the default names, types and descriptions 
                           of files associated with the program. You may
                           change these defaults by editing file theriak.ini 
                           with a common text editor.

     database filename   : file name of database to be used (UNIT=dbs).
----------------------------------------------------------------------------
$END


$THB-ENDMEMB
--------------------------------------
Help: define endmembers ($THB-ENDMEMB)
--------------------------------------

Type
     
     "list"                   : to get a list of all considered phases

     CR                       : to accept last input (if any) and continue.

     endmember n (formula n)  : to enter the name and the formula of the n'th 
                                endmember. If the phase is one of the phases already 
                                considered, the formula may be omitted.
                                
Examples:
              aQz
              phaseX    SI(1)AL(0.5)
----------------------------------------------------------------------------
$END

$THB-YVAR
-----------------------------------
Help: define Y-variable ($THB-YVAR)
-----------------------------------

     CR                       : to accept last input (if any) and continue.

     Y-variable  ymin  ymax   : Possible values for the Y-variable are:
     
                                TC: Temperature in (C)
                                TK: Temperature in (K)
                                P : Pressure in (Bar)
                                
                                ymin and ymax are the minimal and maximal 
                                values for the Y-axix of the binary diagram.
----------------------------------------------------------------------------
$END

$THB-PT
-----------------------------------
Help: define P or T ($THB-YVAR)
-----------------------------------

     CR            : to accept last input (if any) and continue.
     
     pressure      : The constant presure (bar) for a binary T-X diagram.
     temperature   : The constant temperature (deg C) for a binary P-X diagram.
-------------------------------------------------------------------------------
$END


$THM-START
---------------------------------------
Help: define database name ($THM-START)
---------------------------------------

     "?"                      : to get this help.

     CR                       : to accept <last input> (if any) and continue.
     
     "files"                  : to see the files associated with the program.

     database filename        : file name of database to be used (UNIT=dbs).
-----------------------------------------------------------------------------
$END

$THM-WAS
-----------------------------
Help: define phase ($THB-WAS)
-----------------------------

     CR            : to accept last input (if any) and continue.

     "list"        : Show a list of all phases in the database.
     
     "end"         : Stop the program.
     
     "TP" t p      : Set the Temperature (C) and Pressure (Bar)
     
     "g"           : Calculate a table of G-values 
                       
     "v"           : Calculate a table of Vol-values 
     
     phases        : single phase
                or : list of phases (separated by two blanks)
                or : "all"
                 
                     G, H, S, Cp and V are calulated, The table includes : 
                     
                     Standard state values (1 Bar, 25 C)
                     Values at T and P (defined above)
                     
                     Contributions from: - Cp-function
                                         - Volume function (solids)
                                         - Disorder function
                                         - Volume function (gases)
                                         - Lamda transitions
                                         - External functions
-----------------------------------------------------------------------------
$END

$MAP-INF
------------------------------
Help: start MAKEMAP ($MAP-INF)
------------------------------

     CR            : to accept last input (if any) and continue.
     
     "files"       : to see the files associated with the program.
     
     "list"        : to list folders with pixelmap information.
     
     folder-Nr     : to choose one of the shown folders by its number.
                     The folders shown contain pixel information. Their names 
                     start with "_". 

$END

$PIX-ABBREV*
[b]: b-rich solution    n: mass [mol]    wt: weight    x: mole fraction 
$END

$MAP-KEY
------------------------------
Help: start MAKEMAP ($MAP-KEY)
------------------------------

     CR         : to accept last input (if any) and continue.
     
     functionNr : the number corresponding to the desired function.
     
     key        : Entering one of the fhe following keys is optional:

        "x1"   : map the first derivative of the chosen function f
                 in respect to the X-variable of the plot diagram 
                 (df/dX).

        "y1"   : map the first derivative of the chosen function f
                 in respect to the Y-variable of the plot diagram
                 (df/dY).

        "alpha": map  (1/f)*(df/dX)

        "beta" : map -(1/f)*(df/dY)

                     
        The keys "alpha" and "beta" are pimarily defined having in  
        mind the volume function (corresponding to thermal expansion
        coefficient and isothermal compessibility coefficient, respec-
        tively). However, they may be used for any other function too.

NOTE: As usual, "key" must be separated from funtionNr by at least two blanks!
-------------------------------------------------------------------------------
§ 
$END

$XY-START
------------------------------
Help: start PLOTXY ($XY-START)
------------------------------

     CR            : to accept last input (if any) and continue.
     
     "files"       : to see the files associated with the program.

     filename      : name of a file containing a table of themodynamic
                     variables corresponding to an theriak output tab-file.
$END

$XY-ABBREV*
[b]: b-rich solution  a : activity    blk: bulk     Mg# : Mg/(Mg+Fe)    mvol: molar volume 
n  : mass [mol]       pc: percent     wt : weight   x   : mole fraction 
$END

$XY-AXES*
definition example for axes: 3,5,6+7,8+9                    
$END

$XY-AXES

     CR            : to accept last input (if any) and continue.
     
     number(s)     : list of variable numbers or variable expressions sepa-
                     rated by commas. A variable expression has the format 
                        var1+var2+var3 ...
                     
                     Note: One of the axes must have only one variable number or
                     expression.

                     EXAMPLE:
                     For X: 1
                     For Y: 3, 5, 6+7, 8+9
 
§                    
$END