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bash script that interfaces Gaussian or Orca with Tonto Hirsfeld Atom fit

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lamaGOT

bash script that interfaces Gaussian or Orca with Tonto Hirsfeld Atom fit iteratively.

In order to run the gui version of this script you will need to have gtkdialog installed!!!

FOR USERS: The executable is named lamaGOET_full_release.sh, if you want to install all dependencies please run the instructions inside the intalation folder. If you already have gtkdialog installed then instalation is not necessary you should be able to simply run the executable.

All other files are irrelevant for users, only developers.

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bash script that interfaces Gaussian or Orca with Tonto Hirsfeld Atom fit

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