Dear friends, colleagues, and all HPx-eos/THERMOCALC users,
There will be a hiatus in news, as, in common with the rest of the global community, we work to handle the effects of the COVID-19 pandemic on our professional and personal lives. I hope to return to website developments in June, after the end of semester.
Wishing all of you the very best at this difficult time,
Linux versions of THERMOCALC and DRAWPD are now available on the respective software pages. Please test and let me know if you have any problems. From now on I will update these along with the Mac and Windows versions.
DRAWPD 1.18 can now be downloaded, including a working Windows version. Did you know that DRAWPD lets you plot coloured and ornamented lines? (as of version 1.16 I believe). An example of this is bundled with the download.
We continue to work on comprehensive .csv output for all THERMOCALC calculation modes, to facilitate more flexible plotting.
Update 8-2-2020: There is now drawpd documentation available at the link above, along with a slightly updated version of DRAWPD 1.18 (small changes to what appears on screen, nothing likely to affect the user).
Many thanks to those users who confirmed that the previous version was now working! Please continue to report any problems.
As usual, the development of tc350 is partly driven by our long term plans, and partly in response to problems and requests raised by users. In this case, many of the changes since December’s release are user-driven (this is great – please keep commenting!). They mainly relate to new scripts, making input/output more flexible, and also to the printing of more comprehensive output. The changes are detailed in the release notes bundled with the software download – please do read these carefully!
Looking ahead, Eleanor and John have just been discussing TawnyCALC, one of two upcoming extension packs to THERMOCALC.
TawnyCALC will automate various problems that involve driving THERMOCALC along a path, doing dogmin calculations at each step. Fractionation calculations are an obvious example. We currently plan to have it running online via a Jupyter interface.
The second extension pack, TammaCALC, will allow a set of phase diagram calculations to be made simultaneously and repeatedly. It will facilitate various uncertainty calculations.
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?
We’re delighted to welcome John Mansour onto the development team. John is a programmer who has worked extensively on the Underworld geodynamics code. He will be helping us with (i) facilitating open-system calculations in THERMOCALC, and (ii) working towards the integration of phase equilibrium calculations with Underworld.
We hope soon to introduce THERMOCALC-powered open-system modelling facilities, based as always on the phase relations encapsulated in the HPx-eos. These facilities will be standalone, but will also link into the Underworld geodynamic modelling toolkit.
Eleanor is trying to wrap her brain around how to handle chemically-open systems in solid-Earth geoscience as a fully general problem, and bridge the communication gap with her colleagues in software development and geodynamics. More news later this week…