Closed Andrew-S-Rosen closed 1 month ago
@janosh: I was also wondering about that --- I had to dig through classes to see what value inherit_incar
was being set to just to be sure. I will add inherit_incar=False
to the other sets here that way when people make a new one, they will be more likely to ensure that this is still the case regardless of what happens upstream.
Definitely agree about the regression test. I wish I could be more help on this. If nobody is able to chip in, I'll see if I can carve out some time in the next week or two.
@janosh: Under-promise and over-delivering over here --- I added a regression test for the prev_dir
behavior with MPGGAStaticMaker
.
However, what is concerning is that there does not appear to be any pre-existing tests for MPGGAStaticMaker
in test/vasp/jobs/test_mp.py
so we may only be testing that Maker
indirectly. That's for another PR though.
All modified and coverable lines are covered by tests :white_check_mark:
Project coverage is 76.01%. Comparing base (
96b2b82
) to head (428ebd1
). Report is 2 commits behind head on main.
Would it be possible to get a bugfix release after this PR? I want to reduce potential issues with users trying to reproduce MP settings and getting conflicting results, especially given how hard it is to track down...
v0.0.17 should be released shortly @Andrew-S-Rosen. Thanks for reporting this.
Closes #995.