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fix pydantic deprecation of dict method - septop (#1831)

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Alyssa Travitz
2026-02-05 06:14:03 -08:00
committed by GitHub
parent 173009c917
commit 9f8fd111ff
1 changed files with 2 additions and 2 deletions
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src/openfe/protocols/openmm_septop/equil_septop_method.py
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@@ -2021,8 +2021,8 @@ class SepTopComplexSetupUnit(SepTopComplexMixin, BaseSepTopSetupUnit):
"topology": topology_file,
"standard_state_correction_A": corr_A.to("kilocalorie_per_mole"),
"standard_state_correction_B": corr_B.to("kilocalorie_per_mole"),
"restraint_geometry_A": restraint_geom_A.dict(),
"restraint_geometry_B": restraint_geom_B.dict(),
"restraint_geometry_A": restraint_geom_A.model_dump(),
"restraint_geometry_B": restraint_geom_B.model_dump(),
}
def _execute(