LICENSE
README.md
pyproject.toml
doped/__init__.py
doped/analysis.py
doped/chemical_potentials.py
doped/core.py
doped/generation.py
doped/plotting.py
doped/vasp.py
doped.egg-info/PKG-INFO
doped.egg-info/SOURCES.txt
doped.egg-info/dependency_links.txt
doped.egg-info/requires.txt
doped.egg-info/top_level.txt
doped/VASP_sets/DefectSet.yaml
doped/VASP_sets/HSESet.yaml
doped/VASP_sets/PBEsol_ConvergenceSet.yaml
doped/VASP_sets/PotcarSet.yaml
doped/VASP_sets/RelaxSet.yaml
doped/utils/__init__.py
doped/utils/corrections.py
doped/utils/doped.mplstyle
doped/utils/parsing.py
doped/utils/wyckoff.py
doped/utils/wyckpos.dat
doped/utils/legacy_pmg/LICENSE.rst
doped/utils/legacy_pmg/__init__.py
doped/utils/legacy_pmg/corrections.py
doped/utils/legacy_pmg/defect_compatibility.py
doped/utils/legacy_pmg/thermodynamics.py
tests/test_analysis.py
tests/test_chemical_potentials.py
tests/test_corrections.py
tests/test_generation.py
tests/test_plotting.py
tests/test_vasp.py
tests/test_wyckoff.py