LICENSE
README.md
pyproject.toml
src/fucrimodo/__init__.py
src/fucrimodo/__main__.py
src/fucrimodo.egg-info/PKG-INFO
src/fucrimodo.egg-info/SOURCES.txt
src/fucrimodo.egg-info/dependency_links.txt
src/fucrimodo.egg-info/entry_points.txt
src/fucrimodo.egg-info/requires.txt
src/fucrimodo.egg-info/top_level.txt
src/fucrimodo/analysis/__init__.py
src/fucrimodo/analysis/multi_run_analysis.py
src/fucrimodo/analysis/run_analysis.py
src/fucrimodo/analysis/stage_analysis.py
src/fucrimodo/analysis/utils.py
src/fucrimodo/cli/__init__.py
src/fucrimodo/cli/analyse.py
src/fucrimodo/cli/init.py
src/fucrimodo/cli/main.py
src/fucrimodo/cli/run.py
src/fucrimodo/cli/utils.py
src/fucrimodo/core/__init__.py
src/fucrimodo/core/individual.py
src/fucrimodo/core/multi_stage_search.py
src/fucrimodo/core/population.py
src/fucrimodo/core/abstracts/__init__.py
src/fucrimodo/core/abstracts/break_condition.py
src/fucrimodo/core/abstracts/fitness_function.py
src/fucrimodo/core/abstracts/population_generator.py
src/fucrimodo/core/abstracts/population_selection.py
src/fucrimodo/core/abstracts/stage.py
src/fucrimodo/core/utils/__init__.py
src/fucrimodo/core/utils/cellbounds_custom.py
src/fucrimodo/core/utils/closest_distances_class.py
src/fucrimodo/core/utils/fitness_utils.py
src/fucrimodo/core/utils/legacy_closest_distances_class.py
src/fucrimodo/core/utils/log_utils.py
src/fucrimodo/core/utils/reproducability.py
src/fucrimodo/customs/__init__.py
src/fucrimodo/customs/break_conditions.py
src/fucrimodo/customs/fitness_functions.py
src/fucrimodo/customs/global_soap_target.py
src/fucrimodo/customs/population_generators.py
src/fucrimodo/customs/population_selections.py
src/fucrimodo/customs/utils.py
src/fucrimodo/customs/ga_stage/__init__.py
src/fucrimodo/customs/ga_stage/analysis.py
src/fucrimodo/customs/ga_stage/crossovers.py
src/fucrimodo/customs/ga_stage/ga_stage.py
src/fucrimodo/customs/ga_stage/genetic_algorithm.py
src/fucrimodo/customs/ga_stage/mutations/__init__.py
src/fucrimodo/customs/ga_stage/mutations/abstract.py
src/fucrimodo/customs/ga_stage/mutations/cell_mutations.py
src/fucrimodo/customs/ga_stage/mutations/element_mutations.py
src/fucrimodo/customs/ga_stage/mutations/energy_optimisation_mutations.py
src/fucrimodo/customs/ga_stage/mutations/multi_mutation.py
src/fucrimodo/customs/ga_stage/mutations/position_mutations.py
src/fucrimodo/customs/ga_stage/mutations/symmetry_mutations.py
src/fucrimodo/lab_template/README.md
src/fucrimodo/lab_template/configs/analyse/multi_run/default.py
src/fucrimodo/lab_template/configs/analyse/multi_run/matching_per_n_atoms.py
src/fucrimodo/lab_template/configs/analyse/run/default.py
src/fucrimodo/lab_template/configs/analyse/stage/default.py
src/fucrimodo/lab_template/configs/run/default.py
src/fucrimodo/lab_template/configs/run/test_run_config.py
src/fucrimodo/lab_template/configs/utils/change_n_atoms.py
src/fucrimodo/lab_template/configs/utils/create_target_file_data.py
src/fucrimodo/lab_template/data/raw/example-target.xyz
src/fucrimodo/lab_template/data/raw/simple-target.xyz
src/fucrimodo/lab_template/data/raw/test-target.xyz
src/fucrimodo/lab_template/scripts/perform_test_run.sh
src/fucrimodo/lab_template/scripts/run_slurm_array.sh
src/fucrimodo/utils/__init__.py
src/fucrimodo/utils/ase_tools.py
src/fucrimodo/utils/import_helper.py
src/fucrimodo/utils/target_file_parser.py