LICENSE
README.md
pyproject.toml
aegon/__init__.py
aegon/geometry.py
aegon/population.py
aegon/queuing.py
aegon/units.py
aegon.egg-info/PKG-INFO
aegon.egg-info/SOURCES.txt
aegon.egg-info/dependency_links.txt
aegon.egg-info/requires.txt
aegon.egg-info/top_level.txt
aegon/config/__init__.py
aegon/config/__main__.py
aegon/config/defaults.yaml
aegon/config/loader.py
aegon/config/schemas.py
aegon/data/LJ_clusters_data.npz
aegon/data/SC_Ag_clusters_data.npz
aegon/data/SC_Al_clusters_data.npz
aegon/data/SC_Au_clusters_data.npz
aegon/data/SC_Cu_clusters_data.npz
aegon/data/SC_Ir_clusters_data.npz
aegon/data/SC_Ni_clusters_data.npz
aegon/data/SC_Pb_clusters_data.npz
aegon/data/SC_Pd_clusters_data.npz
aegon/data/SC_Pt_clusters_data.npz
aegon/data/SC_Rh_clusters_data.npz
aegon/data/__init__.py
aegon/data/clusterdb.py
aegon/data/lj.py
aegon/data/sc.py
aegon/discrimination/__init__.py
aegon/discrimination/cluster_usr.py
aegon/discrimination/crystal_mbtr.py
aegon/generation/__init__.py
aegon/generation/cluster_crossover.py
aegon/generation/cluster_mutant.py
aegon/generation/cluster_random.py
aegon/generation/crystal_crossover.py
aegon/generation/crystal_mutant.py
aegon/generation/crystal_random.py
aegon/generation/rotamer_crossover.py
aegon/generation/rotamer_mutant.py
aegon/generation/rotamer_random.py
aegon/generation/selection.py
aegon/io/__init__.py
aegon/io/atoms2image.py
aegon/io/gcolab.py
aegon/io/poscar.py
aegon/io/stdio.py
aegon/io/xyz.py
aegon/optimization/__init__.py
aegon/optimization/ani_backend.py
aegon/optimization/registry.py
aegon/optimization/external/__init__.py
aegon/optimization/external/gaussian.py
aegon/optimization/external/gulp.py
aegon/optimization/external/mopac.py
aegon/optimization/external/orca.py
aegon/optimization/external/vasp.py
aegon/optimization/potentials/__init__.py
aegon/optimization/potentials/ani.py
aegon/optimization/potentials/ase_generic.py
aegon/optimization/potentials/crystal_empirical.py
aegon/optimization/potentials/emt.py
aegon/optimization/potentials/lj.py
aegon/optimization/potentials/sc.py
aegon/optimization/potentials/tio2.py
aegon/parsing/__init__.py
aegon/parsing/libcode_gaussian.py
aegon/parsing/libcode_gulp.py
aegon/parsing/libcode_mopac.py
aegon/parsing/libcode_orca.py
aegon/parsing/libcode_vasp.py
aegon/parsing/libengine_gaussian.py
aegon/parsing/libengine_gulp.py
aegon/parsing/libengine_mopac.py
aegon/parsing/libengine_orca.py
aegon/parsing/libengine_vasp.py
aegon/parsing/readouts.py
tests/test_examples.py
tests/test_gaussian_termination.py
tests/test_input_validation.py
tests/test_orca_termination.py
tests/test_poscar_unwrap.py
tests/test_selection_fitness.py