.coverage
.gitignore
.pre-commit-config.yaml
README.md
TESTING.md
__init__.py
pyproject.toml
pytest.ini
requirements.txt
run_tests.py
.github/workflows/ci.yml
examples/basic_use/basic_use.py
examples/basic_use/input_files/standard_config.yaml
src/alomancy/__init__.py
src/alomancy/version.py
src/alomancy.egg-info/PKG-INFO
src/alomancy.egg-info/SOURCES.txt
src/alomancy.egg-info/dependency_links.txt
src/alomancy.egg-info/requires.txt
src/alomancy.egg-info/top_level.txt
src/alomancy/analysis/__init__.py
src/alomancy/analysis/mace_analysis.py
src/alomancy/configs/__init__.py
src/alomancy/configs/config_dictionaries.py
src/alomancy/configs/remote_info.py
src/alomancy/configs/standard_config.yaml
src/alomancy/core/__init__.py
src/alomancy/core/base_active_learning.py
src/alomancy/core/standard_active_learning.py
src/alomancy/high_accuracy_evaluation/dft/__init__.py
src/alomancy/high_accuracy_evaluation/dft/qe_remote_submitter.py
src/alomancy/high_accuracy_evaluation/dft/run_qe.py
src/alomancy/mlip/__init__.py
src/alomancy/mlip/committee_remote_submitter.py
src/alomancy/mlip/mace_wfl.py
src/alomancy/structure_generation/__init__.py
src/alomancy/structure_generation/find_high_sd_structures.py
src/alomancy/structure_generation/select_initial_structures.py
src/alomancy/structure_generation/md/__init__.py
src/alomancy/structure_generation/md/generate_structures.py
src/alomancy/structure_generation/md/md_remote_submitter.py
src/alomancy/structure_generation/md/md_wfl.py
src/alomancy/utils/__init__.py
src/alomancy/utils/clean_structures.py
src/alomancy/utils/remote_job_executor.py
src/alomancy/utils/test_train_manager.py
tests/__init__.py
tests/conftest.py
tests/core_tests/test_base_active_learning.py
tests/core_tests/test_standard_active_learning.py
tests/high_acc_tests/test_quantum_espresso.py
tests/mlip_train_tests/test_mace_training.py
tests/struc_gen_tests/test_structure_generation.py
tests/utils_tests/test_utilities.py