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Add function to read standard Q-Chem input

Open abelcarreras opened this issue 11 months ago • 0 comments

In many situation it can be useful to be able to read a standard Q-chem input and generate a pyqchem QchemInput object.

  • reuse data from old inputs
  • read molecular structures
  • set a basis input file and do small modifications inside python scripts.

abelcarreras avatar Jan 27 '25 12:01 abelcarreras