Download install.sh:
~$ wget https://raw.githubusercontent.com/J-Fabila/Interatomic_potential_NN/main/install.sh
Change permissions
~$ chmod +x install.sh
Execute
~$ ./install.sh
---> Extracts geometries, forces, energies, dipoles, etc from *.fhi
---> Generates files with suitable format: X Y Z Fx Fy Fz
---> Executes forces and distortions programs
---> Calculates mean forces and mean distortions
---> Prints output to *csv files
---> Executes python sampling
---> Sample forces or energies
---> Output a list of selected configurations
---> Creates "data" directory which contains training data in appropriate format
---> Installation n2p2 (problems with installation)
---> Train NN model
---> Test performance and precision