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.
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.
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.
This is Simon’s blog reporting on the development of a new single-clinopyroxene HPx-EOS.
The new model is designed to replace pre-existing versions that do not currently overlap in P—T—x space.
So far three clinopyroxene EOS exist. Ordered diopside—omphacite—jadeite (Green et al., 2007) is for coexisting sodic—calcic clinopyroxenes. It accounts for order—disorder on the octahedral M1 and M2 sites, but not on the tetrahedral T sites. It is appropriate for high pressure but unsuitable for high temperatures.