Added supported_calctypes to the documentation for Adapters.

qcop/adapters/crest.py

@@ -43,6 +43,7 @@ class CRESTAdapter(
         CalcType.optimization,
         CalcType.conformer_search,
     ]
+    """Supported calculation types."""
     program = "crest"
 
     def program_version(self, stdout: Optional[str] = None) -> str:

qcop/adapters/geometric.py

@@ -32,6 +32,7 @@ class GeometricAdapter(ProgramAdapter[DualProgramInput, OptimizationResults]):
 
     program = "geometric"
     supported_calctypes = [CalcType.optimization, CalcType.transition_state]
+    """Supported calculation types."""
 
     def __init__(self):
         super().__init__()

qcop/adapters/qcengine.py

@@ -13,6 +13,7 @@ class QCEngineAdapter(ProgramAdapter):
 
     program = "qcengine"
     supported_calctypes = [CalcType.energy, CalcType.gradient, CalcType.hessian]
+    """Supported calculation types."""
 
     def __init__(self, external_program: str) -> None:
         super().__init__()

qcop/adapters/terachem.py

@@ -21,6 +21,7 @@ class TeraChemAdapter(ProgramAdapter[ProgramInput, SinglePointResults]):
         CalcType.hessian,
         CalcType.optimization,
     ]
+    """Supported calculation types."""
     program = "terachem"
 
     def program_version(self, stdout: Optional[str] = None) -> str:

qcop/adapters/terachem_fe.py

@@ -12,6 +12,7 @@ class TeraChemFEAdapter(ProgramAdapter[ProgramInput, SinglePointResults]):
     """Adapter for TeraChem's Protocol Buffer Server and Frontend file server."""
 
     supported_calctypes = [CalcType.energy, CalcType.gradient]
+    """Supported calculation types."""
     program = "terachem-fe"
 
     def __init__(self):

qcop/adapters/xtb.py

@@ -31,6 +31,7 @@ class XTBAdapter(ProgramAdapter[ProgramInput, SinglePointResults]):
     """Adapter for xtb-python."""
 
     supported_calctypes = [CalcType.energy, CalcType.gradient]
+    """Supported calculation types."""
     program = "xtb"
     uses_files = False  # xtb-python does not use files written to disk