more fixes

Author: sofroniewn

dqc/api/properties.py

@@ -348,7 +348,7 @@ def _hessian_pos(qc: BaseQCCalc) -> torch.Tensor:
     atompos = system.atompos
 
     # check if the atompos requires grad
-    _check_differentiability(atompos, "atom positions", "optimal geometry")
+    _check_differentiability(atompos, "atom positions", "hessian")
 
     # calculate the jacobian
     jac_e_pos = _jac(ene, atompos, create_graph=True)  # (natoms * ndim)
@@ -490,7 +490,7 @@ def _optimal_geometry(qc: BaseQCCalc) -> torch.Tensor:
     atompos = system.atompos
 
     # check if the atompos requires grad
-    _check_differentiability(atompos, "atom positions", "hessian")
+    _check_differentiability(atompos, "atom positions", "optimal geometry")
 
     # get the energy for a given geometry
     def _get_energy(atompos: torch.Tensor) -> torch.Tensor:

dqc/system/base_system.py

@@ -83,7 +83,7 @@ def getparamnames(self, methodname: str, prefix: str = "") -> List[str]:
     @abstractmethod
     def make_copy(self, **kwargs) -> BaseSystem:
         """
-        Returns a copy of the system identical to the orginal expect for new
+        Returns a copy of the system identical to the orginal except for new
         parameters set in the kwargs.
         """
         pass

dqc/system/mol.py

@@ -297,12 +297,12 @@ def getparamnames(self, methodname: str, prefix: str = "") -> List[str]:
 
     def make_copy(self, **kwargs) -> Mol:
         """
-        Returns a copy of the system identical to the orginal expect for new
+        Returns a copy of the system identical to the orginal except for new
         parameters set in the kwargs.
 
         Arguments
         ---------
-        kwargs
+        **kwargs
             Must be the same kwargs as Mol.
         """
         # create dictionary of all parameters

dqc/system/sol.py

@@ -245,12 +245,12 @@ def getparamnames(self, methodname: str, prefix: str = "") -> List[str]:
 
     def make_copy(self, **kwargs) -> Sol:
         """
-        Returns a copy of the system identical to the orginal expect for new
+        Returns a copy of the system identical to the orginal except for new
         parameters set in the kwargs.
 
         Arguments
         ---------
-        kwargs
+        **kwargs
             Must be the same kwargs as Sol.
         """
         # create dictionary of all parameters