CHANGELOG.rst
INSTALL.rst
LICENSE
MANIFEST.in
README.rst
contributors.txt
setup.py
docs/Makefile
docs/src/changelog.rst
docs/src/cli.rst
docs/src/conf.py
docs/src/contributing.rst
docs/src/examples_index.rst
docs/src/getting_started.rst
docs/src/index.rst
docs/src/install.rst
docs/src/modules.rst
docs/src/readme.rst
docs/src/img/lipzn.png
docs/src/notebooks/LiP_import_export_example.ipynb
docs/src/notebooks/hull.ipynb
docs/src/notebooks/matador_plot_styles.ipynb
docs/src/notebooks/phonon_results.ipynb
docs/src/notebooks/projected_spectral.ipynb
docs/src/notebooks/voltage_from_res_files.ipynb
docs/src/tutorials/C-OQMD_675640-CollCode28857.png
docs/src/tutorials/LiCoO2-CollCode29225_spectral.png
docs/src/tutorials/LiCoO2-CollCode29225_spectral_both.png
docs/src/tutorials/LiCoO2-CollCode29225_spectral_dos.png
docs/src/tutorials/LiCoO2-CollCode29225_spectral_pdis.png
docs/src/tutorials/Si-OQMD_5714-CollCode29287.png
docs/src/tutorials/cli.rst
docs/src/tutorials/mongo.rst
docs/src/tutorials/run3.rst
docs/src/tutorials/run3_elastic.rst
docs/src/tutorials/run3_geom.rst
docs/src/tutorials/run3_phonon.rst
docs/src/tutorials/run3_spectral.rst
matador/__init__.py
matador/battery/__init__.py
matador/battery/electrode.py
matador/calculators/__init__.py
matador/calculators/ase.py
matador/calculators/calculator.py
matador/calculators/castep.py
matador/calculators/quantum_espresso.py
matador/cli/__init__.py
matador/cli/cli.py
matador/cli/dispersion.py
matador/cli/run3.py
matador/compute/__init__.py
matador/compute/batch.py
matador/compute/compute.py
matador/compute/pbs.py
matador/compute/queueing.py
matador/compute/slurm.py
matador/config/__init__.py
matador/config/config.py
matador/config/example_mongod.conf
matador/config/matador.mplstyle
matador/config/matadorrc.yml
matador/config/quickstart.py
matador/config/settings.py
matador/config/vesta_elements.ini
matador/config/__pycache__/__init__.cpython-37.pyc
matador/config/__pycache__/config.cpython-37.pyc
matador/config/__pycache__/quickstart.cpython-37.pyc
matador/config/__pycache__/settings.cpython-37.pyc
matador/crystal/__init__.py
matador/crystal/crystal.py
matador/crystal/crystal_site.py
matador/crystal/elastic.py
matador/crystal/network.py
matador/data/__init__.py
matador/data/constants.py
matador/data/nouns
matador/data/words
matador/data/atomic_scattering/__init__.py
matador/data/atomic_scattering/atomic_scattering_factors.dat
matador/data/atomic_scattering/atomic_scattering_factors_gsas.dat
matador/data/atomic_scattering/atomic_scattering_factors_gsas.py
matador/data/atomic_scattering/atomic_scattering_factors_raspa.py
matador/data/atomic_scattering/atomic_scattering_loaders.py
matador/db/__init__.py
matador/db/changes.py
matador/db/connect.py
matador/db/importer.py
matador/db/refine.py
matador/export/__init__.py
matador/export/export.py
matador/export/utils.py
matador/fingerprints/__init__.py
matador/fingerprints/fingerprint.py
matador/fingerprints/pdf.py
matador/fingerprints/pxrd.py
matador/fingerprints/similarity.py
matador/hull/__init__.py
matador/hull/hull.py
matador/hull/hull_diff.py
matador/hull/hull_ensemble.py
matador/hull/hull_temperature.py
matador/hull/phase_diagram.py
matador/orm/__init__.py
matador/orm/magres.py
matador/orm/orm.py
matador/orm/spectral/__init__.py
matador/orm/spectral/dispersion.py
matador/orm/spectral/dos.py
matador/orm/spectral/spectral.py
matador/plotting/__init__.py
matador/plotting/battery_plotting.py
matador/plotting/convergence_plotting.py
matador/plotting/hull_plotting.py
matador/plotting/ir_plotting.py
matador/plotting/pdf_plotting.py
matador/plotting/plotting.py
matador/plotting/pxrd_plotting.py
matador/plotting/spectral_plotting.py
matador/plotting/temperature_plotting.py
matador/plugins/__init__.py
matador/plugins/qmpy_interface/__init__.py
matador/plugins/qmpy_interface/spatulate_oqmd.py
matador/plugins/voronoi_interface/__init__.py
matador/plugins/voronoi_interface/voronoi_interface.py
matador/plugins/voronoi_interface/voronoi_similarity.py
matador/query/__init__.py
matador/query/query.py
matador/scrapers/__init__.py
matador/scrapers/castep_scrapers.py
matador/scrapers/cif_scraper.py
matador/scrapers/experiment_scrapers.py
matador/scrapers/magres_scrapers.py
matador/scrapers/qe_scrapers.py
matador/scrapers/utils.py
matador/swaps/__init__.py
matador/swaps/swaps.py
matador/utils/__init__.py
matador/utils/ase_utils.py
matador/utils/castep_help_utils.py
matador/utils/castep_params.py
matador/utils/cell_utils.py
matador/utils/chem_utils.py
matador/utils/cursor_utils.py
matador/utils/db_utils.py
matador/utils/errors.py
matador/utils/hull_utils.py
matador/utils/pmg_utils.py
matador/utils/print_utils.py
matador/utils/viz_utils.py
matador/workflows/__init__.py
matador/workflows/workflows.py
matador/workflows/castep/__init__.py
matador/workflows/castep/elastic.py
matador/workflows/castep/phonons.py
matador/workflows/castep/spectral.py
matador_db.egg-info/PKG-INFO
matador_db.egg-info/SOURCES.txt
matador_db.egg-info/dependency_links.txt
matador_db.egg-info/entry_points.txt
matador_db.egg-info/not-zip-safe
matador_db.egg-info/requires.txt
matador_db.egg-info/top_level.txt
requirements/crystal_requirements.txt
requirements/dev_requirements.txt
requirements/docs_requirements.txt
requirements/optional_requirements.txt
requirements/pip_requirements.txt
requirements/requirements.txt
requirements/test_requirements.txt
requirements/viz_requirements.txt
scripts/atoms3shx
scripts/castep3cell
scripts/castep3shx
scripts/cell3shx
scripts/cif3shx
scripts/compare_pdfs
scripts/dbtools
scripts/fryan
scripts/magres2shx
scripts/oddjob
scripts/plot_convergence
scripts/plot_convergence_old
scripts/pwscf3shx
scripts/pxrd_calculator
scripts/shx3cell
scripts/shx3cif
scripts/shx3pwscf
scripts/standardize_cell
tests/__init__.py
tests/test_ase_utils.py
tests/test_battery.py
tests/test_cell_utils.py
tests/test_chem_utils.py
tests/test_compute.py
tests/test_config.py
tests/test_connect.py
tests/test_crystal.py
tests/test_cursor_utils.py
tests/test_data.py
tests/test_db.py
tests/test_file_io.py
tests/test_hull.py
tests/test_integration.py
tests/test_misc_utils.py
tests/test_module_imports.py
tests/test_orm.py
tests/test_pdf.py
tests/test_plotting.py
tests/test_pmg_utils.py
tests/test_pxrd.py
tests/test_query.py
tests/test_similarity.py
tests/test_spectral_orm.py
tests/test_swaps.py
tests/test_workflows.py
tests/utils.py