Change Log

Version 1.0.31 - November 17th, 2023

Sorted issues with .pkl incompatability for calibration datasets by resaving all as csv files and loading those.

Version 1.0.30 - October 6th, 2023

Issue with Amp-Liq melt mathcing, particularly if non unique values for liqiud names. Fixed so dont end up with a duplicate column name that errors out.

Version 1.0.28 - October 6th, 2023

Saved pkl files for Jorgenson and Petrelli were failing with Sklearn 1.3. retrained models using this version + released new version on github for Thermobar_onnx. Sklearn also changed ‘mse’ to now be called ‘squared_error’ For Cpx_all functions, as doesnt do voting anyway, swapped to onnx versions, so at least those work when people have wrong versions.

Fixed bug with Jorgenson - was doing normalizatoin using the Sample_ID_Liq_num column for MonteCarlo simulations, resulted in liquid getting less and less data as you go to higher iterations. Added if statement to drop column before normalization stage.

Version 1.0.25 - July 6th, 2023

Added CHOMPI from Blundy (2022) function calculate_CHOMPI

Version 1.0.20 Mayn 30th, 2023

Cpx matching function thros error if one column all Nans, have done a check if column there first. Thanks Divya!

Version 1.0.19 April 1st, 2023

Raises warning if people enter non equal length dataframes into functions which dont melt match. Add melt match for plag-fspar (Thanks Jordan!)

Version 1.0.18 April 1st, 2023

Support for non numerical sample names for Opx-Cpx, Opx-Liq matching, Fspar-Liq, Amp-Liq.

Version 1.0.16 April 1st, 2023

Added ability to do confidence intervals in matplotlib

Version 1.0.14 March 13th, 2023

Felix boschetty showed that viscosity doesnt work if sample name is a string. Have changed to drop the sample column during the norm step.

Conversion between fo2 and melt redox only used high T QFM value. Have now changed to allocate based on entered T_K

Version 1.0.12, Feb 13th, 2023

If a user entered Kspar comps into plag-liq functions, returned Nan for eq tests, broke loop. Have fixed to add warning if you enter An<0.05, and also to not return yes or no if T is Nan Have also updated examples to get users to plot input fspar on a ternary diagram.

Version 1.0.11, Feb 11th, 2023

Fixed bug, in old version, T<1300 K, code returned ‘Pass’ for An-Ab in plag-liq, even if fail. Kd value was correct, just string was wrong. Thanks to Bryant platt for spotting this one.

Version 0.12 Nov 23rd, 2021

Added in capability for Plag-Liq, Kspar-Liq temperature calculations for melt matching, and Plag-Liq hygrometers.

Added in warning if users specify Suffix, but already have the suffix.

Version 0.11 Nov 15th, 2021

Fixed issue with indent on Opx-Liq melt matching.

Previous changes before detailed change log started:

Removed Wang et al. (2021) barometer eq. 3 and thermometer eq 2, updated eq 1 and 2 to reflect those in the final version of the manuscript.

Changed order of Cpx-Liq oxides when training Petrelli (2020) to get perfect benchmark