Always get error in dataset checking of Cu-Mg activity

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Always get error in dataset checking of Cu-Mg activity #18

Closed Pure-Alex closed 2 years ago

Pure-Alex commented 4 years ago

I'm trying to reproduce the Cu-Mg phase diagram but always get the following error message:

Dataset Error in input-data\activity\CU-MG-ACR_MG-LIQUID-garg1973thermodynamic.json: Shape of conditions (P, T, configs): (1, 1, 1) does not match the shape of the values (1, 1, 10).

I tried it again with other systems but always found issues for activity datasets.

bocklund commented 4 years ago

Hi @Pure-Alex, the solver key in that dataset is not required and ESPEI has recently become more strict on not allowing this key in the equilibrium thermochemical datasets. It's deleted now.

I just made a commit with this fix to the dataset that passes the dataset checker on the most recent ESPEI. You can update with git pull from the ESPEI-datasets directory that you cloned to (or just redownload the archive if you got the datasets directory that way).

bocklund commented 2 years ago

Fixed by #22