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dscribe optional, fixed insertion test
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atomate/vasp/firetasks/electrode_tasks.py

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@@ -10,15 +10,7 @@
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from atomate.vasp.database import VaspCalcDb
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from atomate.vasp.firetasks import pass_vasp_result
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from atomate.vasp.fireworks.core import OptimizeFW, StaticFW
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try:
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from pymatgen.analysis.defects import ChargeInsertionAnalyzer
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except ImportError:
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print(
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"Failed to import ChargeInsertionAnalyzer. This is likely due to converting the pymatgen defects module "
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"to a namespace package. See https://github.com/materialsproject/pymatgen/pull/2582#issuecomment-1198318101 "
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"for updates."
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)
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from pymatgen.analysis.defects.utils import ChargeInsertionAnalyzer
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__author__ = "Jimmy Shen"
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__email__ = "[email protected]"

requirements.txt

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@@ -8,6 +8,7 @@ pandas==1.4.4
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paramiko==2.11.0
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pydash==5.1.0
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pymatgen-analysis-diffusion==2022.7.21
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pymatgen-analysis-defects==2022.9.14
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pymatgen==2022.9.8
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pymongo==4.2.0
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ruamel.yaml==0.17.21

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