COVID-19 hiatus

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,

Eleanor and the rest of the team

Website updates: moving on to the HPx-eos

I’ve now finished the THERMOCALC section of the website, other than some exceptions listed below. In the last few days I’ve rationalised and completed the documentation for P-T projection and pseudosection calculations. I’ll be moving on to add more about the HPx-eos, which will be relevant to users of THERMOCALC, Perple_X and other software.

Outstanding THERMOCALC-related material:

  • THERMOCALC 3.50 is still in beta, and currently we don’t trust it to handle several of the less common calculation facilities. I will write more about those when the working software is released.
  • Simon is still working on his excellent set of tutorials, as well as an app for plotting compatibility diagrams (with some kind help from John!).

Have fun, please report any broken links or glaring omissions.

THERMOCALC downloads not so ready….

Okay, various problems are cropping up, which I am working on:

  • Windows downloads of THERMOCALC produce empty files: fixed, new versions dated 13-12-2019.
  • Windows download of DRAWPD 1.17 not working: this is a bug, which we are working to fix. Meanwhile, I’ve uploaded DRAWPD 1.15 for Windows, which should work.
  • tc-mb50NCKFMASHTO and tc-ig50NCKFMASHTOCr don’t always run: new versions of igneous and metabasite input files uploaded, dated 13-12-2019. The problem here was a minor formatting error, resulting from the very last change to tc350 before uploading (tc350 has been changing up to twice a day for the last few weeks!). The formatting changes relate to making the syntax of axfiles stricter, providing more transparency for users and less chance of unintended consequences for developers.

Have you noticed anything else wrong? Please tell me!

As always, do join our discussion group, and follow us on Twitter @hpxeos (Simon is the Twittermaster!).

THERMOCALC downloads ready

I’m about to put THERMOCALCs 3.47 and 3.50 online, along with HPx-eos input files. Not much here yet for new users, or for people who want to use the HPx-eos in a different program. This will take a bit longer, due to other work pressures, but I do aim to have the website largely complete within the next few months. Meanwhile do feel free to join the Discussion Group.

Update 13-12-19: I’m working to get the Windows downloads working… please check back later if you’re looking for these.

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.