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Add npool to the kcw_wannier configuration
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Lines changed: 5 additions & 1 deletion

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src/koopmans/commands.py

Lines changed: 5 additions & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -222,11 +222,15 @@ class KCWWannierConfig(ParallelCommandConfig):
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stderr: str | None = None
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stdin_redirection_string: ClassVar[str] = "-in"
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ase_env_var: ClassVar[str] = "ASE_KCW_WANNIER_COMMAND"
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npool: int | None = Field(None, description="Number of pools to use for parallel execution.")
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@property
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def options_str(self) -> str:
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"""Return the string of options to provide to the executable."""
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return ''
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options: list[str] = []
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if self.npool is not None:
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options.append(f"-npool {self.npool}")
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return ' '.join(options)
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class KCPConfig(ParallelCommandConfig):

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