Adam M. Krajewski
Adam M. Krajewski
Hi @kavanase! It seems that your supercell is quite large and if you are saving it as a `POSCAR` with default settings you may be running into numerical precision issues....
Hi Marat, Not automatically, as the required output depends on your ESPEI phase description (e.g. sublattice model choice). That said, we do a lot of SIPFENN -> ESPEI exports in...
It's a leftover from some debugging. Already fixing it!
@bocklund Thank you for taking your time and providing great feedback! As always 😃 - **1** - The idea was that the user's input would be expanded internally, and the...
Hi! - The merge conflict was probably showing up because of ambiguity about which instructions from PR#22 or PR#23 should be first as they start from the same line of...
- [x] Improvement of the summary to make it more approachable to the general audience. - [x] Elaborate on other methods - reference the Python and NumPy implementations presented within...
Hi @Henrium, thanks again for taking the time and effort to provide valuable feedback. I finished working through all reviewer comments, and I believe the code/paper is ready for you...
@Henrium Again, thank you for your time and effort in the review. I will close this issue as completed.
Thanks for the feedback @bocklund ! As always, it is very much appreciated! The idea behind this switch was to make printouts verbose vs. concise rather than on vs. off,...
I created a new branch, `improve_CalculatorPrintout`, for this purpose.