LICENSE
README.md
pyproject.toml
doped/DefectSet.yaml
doped/HSE06_RelaxSet.yaml
doped/PBEsol_ConvergenceSet.yaml
doped/PotcarSet.yaml
doped/__init__.py
doped/aide_murphy_correction.py
doped/analysis.py
doped/chemical_potentials.py
doped/plotting.py
doped/vasp_input.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/pycdt/__init__.py
doped/pycdt/core/__init__.py
doped/pycdt/core/_chemical_potentials.py
doped/pycdt/core/defects_analyzer.py
doped/pycdt/core/defectsmaker.py
doped/pycdt/core/tests/__init__.py
doped/pycdt/core/tests/test_chemical_potentials.py
doped/pycdt/core/tests/test_defects_analyzer.py
doped/pycdt/core/tests/test_defectsmaker.py
doped/pycdt/corrections/__init__.py
doped/pycdt/corrections/finite_size_charge_correction.py
doped/pycdt/corrections/freysoldt_plotter.py
doped/pycdt/corrections/ldau_correction.py
doped/pycdt/corrections/sxdefect_correction.py
doped/pycdt/corrections/utils.py
doped/pycdt/corrections/tests/__init__.py
doped/pycdt/corrections/tests/test_finite_size_charge_correction.py
doped/pycdt/corrections/tests/test_ldau_correction.py
doped/pycdt/corrections/tests/test_utils.py
doped/pycdt/utils/__init__.py
doped/pycdt/utils/log_util.py
doped/pycdt/utils/parse_calculations.py
doped/pycdt/utils/plotter.py
doped/pycdt/utils/units.py
doped/pycdt/utils/vasp.py
doped/pycdt/utils/tests/__init__.py
doped/pycdt/utils/tests/test_log_util.py
doped/pycdt/utils/tests/test_parse_calculations.py
doped/pycdt/utils/tests/test_plotter.py
doped/pycdt/utils/tests/test_units.py
doped/pycdt/utils/tests/test_vasp.py
tests/test_chemical_potentials.py
tests/test_parse_calculations.py
tests/test_vasp_input.py