C-----Version: 11.02.2015 of Theriak-Domino Getting started: Short instruction for installation are given below. Detailed instructions for installation, examples and description of the programs are given in the document "TheriakDominoGuide". All programs provides some helpwith the "?" keyword in the input dialogues. ------------------------------------------------------------------------------------------ List of distributed files and folders ------------------------------------- In the Folder ThrtiakDominoMAC or TheriakDominoWIN: (The difference between ThrtiakDominoMAC and TheriakDominoWIN are the executables, the theriak.ini file and the line endings of text files. Mac: , DOS: ) Folders: documentation working programs examples ------------------------------------- In folder documentation readme history TheriakDominoGuide.pdf ExplotGuide.pdf commented_theriak.pdf (commented run of theriak) commented_domino.pdf (commented run of domino) Installation_from_source.pdf ----------------------------------------- In folder working (working directory) THERIN (user input file) JUN92.bs (database) tcdb55c2d (database) testds61.bb (database) sialca (database) bash_profile (for MAC) start.bat (Batch file for PC) JUN92.bs -------- This database is identical (almost) to the one used by the "TWQ" software. See also: Berman R.G., Brown T.H., Greenwood H.J. (1985): An internally consistent thermodynamic database for minerals in the system Na2O-K2O-CaO-MgO-FeO-Fe2O3-Al2O3-SiO2-TiO2-H2O-CO2. Atomic Energy of Canada Ltd. Technical Report 377,62p. Perkins E.H., Brown T.H., Berman R.G. (1986): PTX-SYSTEM:three programs for calculation of pressure-temperature-composition phase diagrams.Computers & Geosciences, v. 12, p. 749-755 Includes some new solution models for WHITE MICA (L. Keller, 2004) SPIN, OPX, CHL4 (P. Hunziker 2003) tcdb55c2d --------- These are translations readable for Theriak and Domino of the THERMOCALC database tcds55.txt, personal communication of R. Powell, September 2004. (Some solution models. (e.g. Chlorite solution cannot be translated to the Theriak philosophy) Includes the solution moels proposed in White, RW, Powell, R & Holland, TJB (2007): Progress relating to calculation of partial melting equilibria for metapelites. Journal of Metamorphic Geology, 25, 511-527. (translated from tx-NCKFMASHTO.txt in tc330 download.) Older solution models are commented out. testds61.bb ----------- Provisional. Translation of tc-ds61.txt, distributed with tc336i, readable for Theriak and Domino. T. J. B. HOLLAND AND R. POWELL (2011): An improved and extended internally consistent thermodynamic dataset for phases of petrological interest, involving a new equation of state for solids. Includes some solution models used in above paper for high P phase diagram calculations. sialca ------ This data was taken from: Berman R.G., Brown T.H. (1984): A thermodynamic model for multicomponent melts, with application to the system CaO-Al2O3-SiO2. Geochim. Cosmochim. Acta 48:661-678 ------------------------------------- In folder programs (program directory) main programs theriak (Calculates equilibrium assemblages) domino (Calculates equilibrium assemplage phase diagrams) therbin (Calculates binary phase diagrams) therter (Calculates ternary phase diagrams) thermo (Calculates basic thermodynamic functions at T and P) thalia (Calculates diagrams of basic thermodynamic functions)) theriag (Calculates garnet zoning with diffusion. See special documentation) theriaq (Calculates aqueous equilibria with stable assemblages. Beta-verion, please ignore) jphases (used to write input when programs are used with the Java GUI) jfiles (used to write input when programs are used with the Java GUI) cat2.f90 theriakd.f90 plot programs guzzler (manipulates the output from thalia and domino) explot (translates graphic output to a PostScript file) makemap (translates pixelmaps to PostScript and .pgm) plotxy (reads tables an makes X-Y-plots) plotg (reads tables produced by theriag. See special documentation) essential files thhelp.txt (Help text printed when user-input is '?') theriak.ini (initialization file with definitions for file names. Is usually identical to theriakMAC.ini) theriakMAC.ini (initialization file with definitions for file names, preferred by CdC) theriakWIN.ini (initialization file with definitions for file names, preferred by KP) makefile (1) Makefile (Is usually identical to MakefileMAC) MakefileWIN (Makefile to compile for Win) MakefileMAC (Mkefile to compile for UNIX or Mac) Main programs source codes theriak.f90 domino.f90 therbin.f90 therter.f90 thermo.f90 thalia.f90 theriag.f90 theriaq.f90 jphases.f90 jfiles.f90 cat2.f90 Plot programs source codes guzzler.f90 explot.f90 (kguzzler.f90 and kexplot.f90, not always present) makemap.f90 plotxy.f90 plotg.f90 common block files files.cmn thblock.cmn theriak.cmn Subroutine files activi.f90 dasave.f90 dbread.f90 fsol.f90 gcalc.f90 gmini.f90 help.f90 hprogs.f90 prinin.f90 prtcal.f90 platform dependent soubroutine files platf-os9.f90 platf-osx.f90 platf-unix.f90 platf-win.f90 platf-win2.f90 additional files (added just to test the compilation) THERIN (user input file) JUN92.bs (database) theriak.last domino.last guzzler.last explot.last MakefileMAC MakefileWIN Makefile ----------------------------------------- In folder TheriakExamples Content may vary. Each folder includes a database, a dat-file and a log-file where the input for the demo is stored. For testing, run the program for which a log-file exists and use the proposed input. trippt/ Tripple point of AS. Very simple example to get started. afmfor/ Demonstration on how a "AFM-like" diagram may be produced by domino. anorthiteExample/ Simple Diagrams with Bulk=an-rich plagioclase [+ SiO2 + H2O] fo_qz_melt/ Fo-Qzt-melt example from Holland and Powell (2003) kelsey04_fig5/ Phase diagram example after Kelsey et al. (2004), Fig 5a. scripting/ Examples of scripts with diagrams in the System Si-Na-K-Al-O-H shawL55/ Phasediagram for metapelite Nr.55, composition from Shaw (1955) shawL62/ Phasediagram for metapelite Nr.62, composition from Shaw (1955) sialcathings/ Example of Binary and Ternary phase diagrams with the database "sialca" parigi/ Example from Coggon and Holland (2002), Fig. 6. (with fixed H2O activity) ds61_test/ High P examples from holland and Powell (2011) -------------------------------------------------------------------------------------------------------- short summary for Installation on Macintosh OS X (Is tested on OS X 3.7 - 10.4, 10.9.5) More details in TheriakDominoGuide ---------------------------------- Unzip TheriakDominoMAC.zip (double-clicking should work, else donwload the free expander software from http://www.stuffit.com/mac/index.html. Put the folder "TheriakDominoMAC" in your Home directory. In order to start the programs from a Terminal and to keep your input files separate from the programs, you need to set the THERDOM environment variable to the path where the programs are stored and also to add this path to the searchpath for executing programs. - Copy "bash_profile" to your Home directory (outside the "TheriakDomoinoMAC" folder). - Edit "bash_profile", to define the Program directory. (use e.g. BBEdit or TextEdit) In line 13, write the name of your Home directory instead of "capi". e.g.: export THERDOM=/Users/UserName/TheriakDominoMAC/programs - Save the file as ".bash_profile" in the Home directory. - start Terminal and move (change directory) to working -------------------------------------------------------------------------------------------------------- short summary for Installation on PC More details in TheriakDominoGuide ---------------------------------- Unstuff TheriakDOS.zip Put the folder "TheriakDOS" to c:\ a) double-clicking the program icons will open a batch window and execute the program. This works, if you place all your personal input files, databases etc in the same folder as the programs. (In that case move all files from TheriakData to the folder TheriakDomino.) (The window usually closes immediately after program ends. Look at the output in the out-file) b) If you intend to start the programs from a batch window and wish to keep your input files separate from the programs: - Open the Folder "TheriakData" - Open the file "start.bat" ------------------------------------------------------------------------------------------ ------------------------------------------------------------------------------------------ I hope you encounter no major difficulties sincerely Christian de Capitani