SimpleDefect class does not meet MSONable requiement

[zeyuan-ni]

• Test code:

  from pydefect.input_maker.defect import SimpleDefect 
  
  sd = SimpleDefect(in_atom="A",out_atom="B",charge_list=[0,1,2])
  sd_dict = sd.as_dict()
  SimpleDefect.from_dict(sd_dict)

• Result:

  ---------------------------------------------------------------------------
  KeyError                                  Traceback (most recent call last)
  Cell In[3], line 5
        3 sd = SimpleDefect(in_atom="A",out_atom="B",charge_list=[0,1,2])
        4 sd_dict = sd.as_dict()
  ----> 5 SimpleDefect.from_dict(sd_dict)
  
  File ~/packages_dev/vasp_workflows/.venv/lib/python3.9/site-packages/pydefect/input_maker/defect.py:18, in Defect.from_dict(cls, d)
       16 @classmethod
       17 def from_dict(cls, d):
  ---> 18     return cls(name=d["name"], charges=tuple(d["charges"]))
  
  KeyError: 'name'

• Reason
  • SimpleDefect inherit from_dict() from parent Defect class, which is not compatible since SimpleDefect has a different __init__() method.
• Possible fix plan (tested)

  class SimpleDefect_MSONable(SimpleDefect):
      @classmethod
      def from_dict(cls, d):
          _d = {k:v for k,v in d.items() if not "@" in k}
          return cls(**_d)