Perple_X users!

Do you want to use the HPx-eos in Perple_X? Are you struggling to work out which combination of dataset files, solution models and make/exclusion statements to use? Jeff Moyen has constructed a handy spreadsheet and is kindly sharing it with the community.

Please note, neither Jeff nor I are guaranteeing this information, and correct use of Perple_X is still the user’s responsibility. Do read the notes in the solution_model.dat file!


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.

HPx-eos +/- THERMOCALC workshop

Luca Ziberna and I are planning to hold a workshop in Trieste, Italy, in the first week of September 2020 (the week before the European Mineralogy Conference in Krakow, 6-10 September).

The workshop will focus on the HPx-eos and their use, with THERMOCALC as our main modelling tool.

At this stage we’d like to hear from the community which might attract more interest:

  1. a workshop with substantial time spent on getting started with THERMOCALC
  2. a more wide-ranging exploration of potential applications for the HPx-eos and phase equilibrium modelling in general – i.e. with more interest for those who don’t want to use THERMOCALC itself, or are already expert users.

If you’d potentially be interested in coming to this workshop, please let us know what sort of content you’d be interested in! You can do this via the poll on the workshop webpage, through the discussion group, or by contacting us directly.

THERMOCALC 3.50 updates

Happy New Year to all our users!

To celebrate, there is a new version of THERMOCALC 3.50 beta available.

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!

TawnyCALC is coming

The tawny frogmouth. Possibly Australia’s
most delightful bird? Although competition
is fierce. (Photo by James Barron.)

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.

More to come in 2020!

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.