@@ -40,9 +40,12 @@ class MPGGARelaxSetGenerator(MPRelaxSet):
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bandgap_tol : float = None
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force_gamma : bool = True
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auto_metal_kpoints : bool = True
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+ symprec : float | None = None
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def __post_init__ (self ) -> None :
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"""Raise deprecation warning and validate."""
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+ if self .symprec is not None :
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+ self .sym_prec = self .symprec
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super ().__post_init__ ()
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@@ -57,9 +60,12 @@ class MPGGAStaticSetGenerator(MPStaticSet):
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inherit_incar : bool | None = False
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force_gamma : bool = True
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auto_metal_kpoints : bool = True
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+ symprec : float | None = None
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def __post_init__ (self ) -> None :
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"""Raise deprecation warning and validate."""
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+ if self .symprec is not None :
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+ self .sym_prec = self .symprec
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super ().__post_init__ ()
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@@ -72,9 +78,12 @@ class MPMetaGGAStaticSetGenerator(MPScanStaticSet):
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auto_kspacing : bool = True
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bandgap_tol : float = 1e-4
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inherit_incar : bool | None = False
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+ symprec : float | None = None
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def __post_init__ (self ) -> None :
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"""Raise deprecation warning and validate."""
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+ if self .symprec is not None :
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+ self .sym_prec = self .symprec
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super ().__post_init__ ()
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@property
@@ -114,9 +123,12 @@ class MPMetaGGARelaxSetGenerator(MPScanRelaxSet):
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auto_ismear : bool = False
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auto_kspacing : bool = True
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inherit_incar : bool | None = False
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+ symprec : float | None = None
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def __post_init__ (self ) -> None :
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"""Raise deprecation warning and validate."""
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+ if self .symprec is not None :
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+ self .sym_prec = self .symprec
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super ().__post_init__ ()
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@property
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