THERMOCALC 3.50 is coming

RP and Eleanor are almost ready to commit to uploading a beta version of THERMOCALC 3.50. This is not all good news for users, since it requires its own axfile format, containing more information and stricter syntax. Nevertheless we’re delighted with it, since, among other things (lots of things under the hood), it features:

  • fully transparent x-eos descriptions in the -it file (i.e. sufficient to implement the x-eos elsewhere)
  • new csv format output for more flexible plotting
  • avT reinstated; both avP and avT now select reactions for their small uncertainties rather than their linearity (had anyone noticed avT was missing?!)
  • more controllable and extensive output from dogmin calcs, dataset extraction mode, and multiple-reaction thermobarometry.

Many users may never have had a copy of version 3.46 or 3.47, so may not yet have discovered the -ic output file. In here, THERMOCALC prints full details of the calculation, including compositional/structural information in terms of molar oxides and site fractions, and numerous thermodynamic variables. What other/different output should we have?

Website: progress report

The general structure for the website is now in place, but there is nothing to download yet, other than Luca’s excellent avPy package for olivine-bearing igneous rocks.

One reason for the delay is that THERMOCALC is evolving very fast at present, and we are waiting for a stable version with some new features completed. This will involve some intensive RP-Eleanor discussions after RP gets back from Europe. Late July might be a good estimate for completing the THERMOCALC section.

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WhenWhatWhere
5-9 September 2022Understanding oxygen fugacity in geoscience: international schoolTrieste, Italy

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