|by Christian de Capitani||
Version: 09.03.2019Still not perfect, it's faster for some solutions and slower for others. Beware: the "+" and "-" in the code keyword of the database are reverted to their original meaning.
In order to improve the minimization two new features were introduced:
(1) add initial guesses in the database.
EXAMPLE: (section in database)
**** SEEDS **** PHNG Muscovite 6.34806424E-01 Celadonite 2.19890500E-01 Fe-Celadonite 8.95907168E-02 Paragonite 5.39715500E-02 Margarite2 1.74080966E-03 FeMusc 8.01769453E-11 ClAMg tremolite 8.17905247E-02 tschermakite2 1.12218622E-01 pargasite2 4.29616696E-01 glaucophane2 3.11389590E-01 cummingtonite 4.98053328E-03 grunerite2 3.00056441E-01 acam -2.43150519E-01 bcam -3.82003419E-02 mgriebekite 0.00000000E+00 kpargasite 2.14781407E-02 ttschermakite 1.98203137E-02 CPXo jadeite 1.68721771E-01 diopside 4.65403312E-01 omphacite 9.11358977E-02 clinoFM 2.74739019E-01 jadacm 0.00000000E+00In a single calculation with THERIAK, the result is printed in the same format and can easily be pasted into the database.
(2) scan the solution phases for a better starting value. This only applies to solutions with possibly negative endmembers. A scan with "2" can improve the minimization, but will increase the calculation time considerably.
The third number in the first line of the database defines how this scan is made: 0: no scan, 1: scan with x=1/2, 2: scan with x=1/4
EXAMPLE (first line of database):
26 0 2
install gfortranThe programs werde compiled with gfortran. Unfortunately gfortran does not produce a portable binary, because it does not include all libraries. The easiest way of getting the programs to work, is to install gfortran:
Mac OS X:
To re-compile, open a Terminal (Batch window), make "Programs" the working directory and type "make all".
If you own a different compiler, you might also want to re-compile the programs.
Database tcds62cThis database includes the models of Green et al. (2016) It reproduces (more or less) Fig.2c of Green et al. (2016) Only the omphacitic clinopyroxene is included. The augitic (calcic) clinopyroxene is not yet translated.
For more databases check Doug Tinkham's collection (see below: Databases from THERMOCALC)
Fe3+ is included
Most models of White et al. (2014) are excluded. Adding e.g. chloritoide will completely change the phase stabilities. (The Database can not be used to predict phase assemblages without knowing which phases will be stable.)
some endmembers make the minimization very difficult: e.g. jadacm in CPXo (exclude if close to zero anyway)
Databases from THERMOCALCThe databases from THERMOCALC were translated to use with Theriak-Domino by Doug Tinkham, Professor of Metamorphic Geology at Laurentian University.
The THERIAK-DOMINO Input Files can be found here: http://dtinkham.net/peq.html.
There is also a Research Talk organized by Eric Kelly from the University of Texas at Austin.
for Mac OS X