fix: check if the dispersion is None

caic99 · caic99 · commit 76c0a2562918 · 2025-08-08T13:39:44.000Z
diff --git a/lambench/models/ase_models.py b/lambench/models/ase_models.py
@@ -284,7 +284,7 @@ def run_ase_dptest(
         dpdata.LabeledSystem.register_data_type(datatype)
 
         calc = model.calc
-        if dispersion_correction:
+        if dispersion_correction is not None:
             calc = SumCalculator(
                 [calc, DFTD3(method="PBE", dispersion_correction=dispersion_correction)]
             )

Original file line number	Diff line number	Diff line change
`@@ -284,7 +284,7 @@ def run_ase_dptest(`
`284`	`284`	`dpdata.LabeledSystem.register_data_type(datatype)`
`285`	`285`
`286`	`286`	`calc = model.calc`
`287`		`- if dispersion_correction:`
	`287`	`+ if dispersion_correction is not None:`
`288`	`288`	`calc = SumCalculator(`
`289`	`289`	`[calc, DFTD3(method="PBE", dispersion_correction=dispersion_correction)]`
`290`	`290`	`)`