Models: Force skip defaults to maintain hash compatability
@@ -77,6 +77,9 @@ class QCSpecification(ProtoModel):
description="The quantum chemistry program to evaluate the computation with. Not all quantum chemistry programs"
" support all combinations of driver/method/basis.")
+ class Config:
+ force_skip_defaults = True
+
@validator('basis')
def check_basis(cls, v):
return prepare_basis(v)
@@ -124,6 +127,9 @@ class OptimizationSpecification(ProtoModel):
)
protocols: OptimizationProtocols = Schema(OptimizationProtocols(), description=str(OptimizationProtocols.__doc__))
+ class Config:
+ force_skip_defaults = True
+
@validator('program')
def check_program(cls, v):
return v.lower()
