debug.py
- input files: model log file (ex:pyamff.pt), trajectory file (ex:train.traj)
  * Make sure that you have the right path set up in "calc = aseCalc('path-to-model/your_model.pt')" 
- output files: es.dat, fs.dat, rmse.dat
  es.dat & fs.dat
  * column 1: DFT data (energy or forces)
  * column 2: ML data (energy or forces)
  rmse.dat
  * writes number of images, energyRMSE per atom, energyRMSE and force RMSE per atom and per image
- how to exectue: python debug.py traj_file.traj 

debugF.py
- input files: model log file (mlff.pyamff), trajectory file (ex:train.traj)
  * Currently, model log file should be "mlff.pyamff" in current workding directory.
- output files: es.dat, fs.dat, rmse.dat
  es.dat & fs.dat
  * column 1: DFT data (energy or forces)
  * column 2: ML data (energy or forces)
  rmse.dat
  * writes number of images, energyRMSE per atom, energyRMSE and force RMSE per atom and per image 
- how to exectue: python debugF.py traj_file.traj

