Skip to content

Commit

Permalink
black .
Browse files Browse the repository at this point in the history
  • Loading branch information
Andrew-S-Rosen committed Jun 4, 2023
1 parent ee39939 commit 0c5284a
Showing 1 changed file with 5 additions and 1 deletion.
6 changes: 5 additions & 1 deletion src/atomate2/vasp/sets/base.py
Original file line number Diff line number Diff line change
Expand Up @@ -935,7 +935,11 @@ def _set_lmaxtau(incar, incar_settings, structure):
# Note that if the user explicitly sets LMAXMIX in settings it will override this logic.
# See VASP manual for more details.
blocks = [site.specie.block for site in structure]
if "LMAXMIX" not in incar_settings and incar_settings.get("LASPH", False) is True and "f" in blocks:
if (
"LMAXMIX" not in incar_settings
and incar_settings.get("LASPH", False)
and "f" in blocks
):
incar["LMAXTAU"] = 8


Expand Down

0 comments on commit 0c5284a

Please sign in to comment.