Dear pycalphad community,
I'm a newby facing some troble with a database parsing (maybe processing). Such a database has a TYPE-DEF flag with the following command:
TYPE-DEF S IF((NB OR TI OR V) AND (C OR N)) THEN
GES AMEND_PHASE_DESCRIPTION @ COMP-SETS,, NB TI V : C N : !
I realized that the parser (tdb.py) can not read the IF statement, neider COMP-SETS or enven COMPOSITION_SETS. In short, I don't think pycalphad can process such information.
However, of course, when I simply exclude such TYPE-DEF from the database, and also the S flag from the two phases affected by it, pycalphad can properly read the data.
By checking the thermocalc documentation set I found the following information:
"COMPOSITION_SETS
Use this for solution phases that may have miscibility gap(s). However, this is less important
today and often unnecessary to define additional composition set(s), since the implemented
Global Minimization Technique can usually detect and add such composition set(s) in an
automatic manner where it is really necessary during equilibrium calculations (of singlepoints, stepping or mapping)."
Finally, my question:
Can pycalphad also detect and add such composition set(s) in an automatic manner? Does it implement the Global Minimization Technique or something equivalent?
Thank you!