GitHub - aapohaavisto/AI-project: Active learning project using mlip-2 and GPAW

Name		Name	Last commit message	Last commit date
Latest commit History 1 Commit
GaN_cifs		GaN_cifs
cifs		cifs
Make_NbO_atoms.py		Make_NbO_atoms.py
caluculate_dft.py		caluculate_dft.py
convex_hull11.txt		convex_hull11.txt
count_cfgs.py		count_cfgs.py
create_cfg.py		create_cfg.py
dft_from_POSCAR.py		dft_from_POSCAR.py
edit_poscars.sh		edit_poscars.sh
gpaw_output.txt		gpaw_output.txt
lowest_energy_by_ratio.py		lowest_energy_by_ratio.py
make_dft.py		make_dft.py
make_plots.sh		make_plots.sh
min_dist.py		min_dist.py
min_distances.txt		min_distances.txt
plot_convex_hull.py		plot_convex_hull.py
write_cfg.py		write_cfg.py
write_cfg_energy.py		write_cfg_energy.py