Remove VASP_VDW_KERNEL_DIR (#1267)

Andrew-S-Rosen · web-flow · commit 34dcf1c93272 · 2025-08-12T11:33:16.000+02:00
Currently, it does nothing as noted in #959. The better PR would be to make it work, but we shouldn't have an unused setting around since that will confused users more.
diff --git a/src/atomate2/settings.py b/src/atomate2/settings.py
@@ -55,9 +55,6 @@ class Atomate2Settings(BaseSettings):
     VASP_NCL_CMD: str = Field(
         "vasp_ncl", description="Command to run non-collinear version of VASP."
     )
-    VASP_VDW_KERNEL_DIR: Optional[str] = Field(
-        None, description="Path to VDW VASP kernel."
-    )
     VASP_INCAR_UPDATES: dict = Field(
         default_factory=dict, description="Updates to apply to VASP INCAR files."
     )

Original file line number	Diff line number	Diff line change
`@@ -55,9 +55,6 @@ class Atomate2Settings(BaseSettings):`
`55`	`55`	`VASP_NCL_CMD: str = Field(`
`56`	`56`	`"vasp_ncl", description="Command to run non-collinear version of VASP."`
`57`	`57`	`)`
`58`		`- VASP_VDW_KERNEL_DIR: Optional[str] = Field(`
`59`		`- None, description="Path to VDW VASP kernel."`
`60`		`- )`
`61`	`58`	`VASP_INCAR_UPDATES: dict = Field(`
`62`	`59`	`default_factory=dict, description="Updates to apply to VASP INCAR files."`
`63`	`60`	`)`