Skip to content

Commit

Permalink
pre-commit auto-fixes
Browse files Browse the repository at this point in the history
  • Loading branch information
pre-commit-ci[bot] committed Aug 14, 2024
1 parent 01a2487 commit 0663228
Show file tree
Hide file tree
Showing 2 changed files with 6 additions and 5 deletions.
1 change: 0 additions & 1 deletion src/pymatgen/io/vasp/inputs.py
Original file line number Diff line number Diff line change
Expand Up @@ -1735,7 +1735,6 @@ class OrbitalDescription(NamedTuple):

class PMG_VASP_PSP_DIR_Error(ValueError):
"""Error thrown when PMG_VASP_PSP_DIR is not configured, but POTCAR is requested."""
pass


class PotcarSingle:
Expand Down
10 changes: 6 additions & 4 deletions src/pymatgen/io/vasp/sets.py
Original file line number Diff line number Diff line change
Expand Up @@ -49,7 +49,7 @@
from pymatgen.analysis.structure_matcher import StructureMatcher
from pymatgen.core import Element, PeriodicSite, SiteCollection, Species, Structure
from pymatgen.io.core import InputGenerator
from pymatgen.io.vasp.inputs import Incar, Kpoints, Poscar, Potcar, VaspInput, PMG_VASP_PSP_DIR_Error
from pymatgen.io.vasp.inputs import Incar, Kpoints, PMG_VASP_PSP_DIR_Error, Poscar, Potcar, VaspInput
from pymatgen.io.vasp.outputs import Outcar, Vasprun
from pymatgen.symmetry.analyzer import SpacegroupAnalyzer
from pymatgen.symmetry.bandstructure import HighSymmKpath
Expand Down Expand Up @@ -345,9 +345,11 @@ def write_input(
vasp_input = self.get_input_set(potcar_spec=potcar_spec)
except PMG_VASP_PSP_DIR_Error:
assert potcar_spec is False
raise ValueError("PMG_VASP_PSP_DIR is not set." +
" Please set the PMG_VASP_PSP_DIR in .pmgrc.yaml" +
" or use potcar_spec=True argument.")
raise ValueError(
"PMG_VASP_PSP_DIR is not set."
+ " Please set the PMG_VASP_PSP_DIR in .pmgrc.yaml"
+ " or use potcar_spec=True argument."
)

cif_name = None
if include_cif:
Expand Down

0 comments on commit 0663228

Please sign in to comment.