pyscfad.df.df.DF.to_pyscf#

DF.to_pyscf(nocopy_names=(), out=None)[source]#

Convert the pyscfad object to its pyscf counterpart.

The conversion effectively removes the tracing of the object and its members.

Parameters:

  • obj (object) – The pyscfad object to be converted.

  • nocopy_names (tuple, default=()) – Names of attributes that are not copied to the pyscf object.

  • out (object, optional) – The target pyscf object.

Notes

Member arrays will be converted (whether a copy is made depends on the implementation of __array__ function) to numpy arrays.