fix wrong arg name

caic99 · caic99 · commit 518b5764630c · 2025-08-08T13:51:03.000Z
diff --git a/lambench/models/ase_models.py b/lambench/models/ase_models.py
@@ -286,7 +286,7 @@ def run_ase_dptest(
         calc = model.calc
         if dispersion_correction is not None:
             calc = SumCalculator(
-                [calc, DFTD3(method="PBE", dispersion_correction=dispersion_correction)]
+                [calc, DFTD3(method="PBE", damping=dispersion_correction)]
             )
 
         energy_err = []

Original file line number	Diff line number	Diff line change
`@@ -286,7 +286,7 @@ def run_ase_dptest(`
`286`	`286`	`calc = model.calc`
`287`	`287`	`if dispersion_correction is not None:`
`288`	`288`	`calc = SumCalculator(`
`289`		`- [calc, DFTD3(method="PBE", dispersion_correction=dispersion_correction)]`
	`289`	`+ [calc, DFTD3(method="PBE", damping=dispersion_correction)]`
`290`	`290`	`)`
`291`	`291`
`292`	`292`	`energy_err = []`