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Replace monty which with shutil which #92

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merged 3 commits into from
Mar 22, 2022
Merged

Replace monty which with shutil which #92

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ea8f056
Replace monty which with shutil which
Andrew-S-Rosen Mar 18, 2022
c032764
isort
Andrew-S-Rosen Mar 18, 2022
0e2c967
Fix bader exe check
Andrew-S-Rosen Mar 18, 2022
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4 changes: 2 additions & 2 deletions src/atomate2/vasp/schemas/calculation.py
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Original file line number Diff line number Diff line change
Expand Up @@ -2,11 +2,11 @@

import logging
from pathlib import Path
from shutil import which
from typing import Any, Dict, List, Optional, Tuple, Union

import numpy as np
from jobflow.utils import ValueEnum
from monty.os.path import which
from pydantic import BaseModel, Field
from pydantic.datetime_parse import datetime
from pymatgen.command_line.bader_caller import bader_analysis_from_path
Expand Down Expand Up @@ -49,7 +49,7 @@
]


_BADER_EXE_EXISTS = which("bader") or which("bader.exe")
_BADER_EXE_EXISTS = True if (which("bader") or which("bader.exe")) else False


class Status(ValueEnum):
Expand Down