LICENSE
README.md
pyproject.toml
pyfhiaims/__init__.py
pyfhiaims/aims_input.py
pyfhiaims/calculation.py
pyfhiaims/errors.py
pyfhiaims.egg-info/PKG-INFO
pyfhiaims.egg-info/SOURCES.txt
pyfhiaims.egg-info/dependency_links.txt
pyfhiaims.egg-info/requires.txt
pyfhiaims.egg-info/top_level.txt
pyfhiaims/cli/__init__.py
pyfhiaims/control/__init__.py
pyfhiaims/control/chunk.py
pyfhiaims/control/control.py
pyfhiaims/control/cube.py
pyfhiaims/control/kpoints.py
pyfhiaims/external_interfaces/__init__.py
pyfhiaims/external_interfaces/ase/__init__.py
pyfhiaims/external_interfaces/ase/io.py
pyfhiaims/external_interfaces/pymatgen/__init__.py
pyfhiaims/external_interfaces/pymatgen/inputs.py
pyfhiaims/external_interfaces/pymatgen/outputs.py
pyfhiaims/external_interfaces/pymatgen/sets/__init__.py
pyfhiaims/external_interfaces/pymatgen/sets/base.py
pyfhiaims/external_interfaces/pymatgen/sets/bs.py
pyfhiaims/external_interfaces/pymatgen/sets/core.py
pyfhiaims/external_interfaces/pymatgen/sets/magnetism.py
pyfhiaims/geometry/__init__.py
pyfhiaims/geometry/atom.py
pyfhiaims/geometry/geometry.py
pyfhiaims/geometry/periodic_table.py
pyfhiaims/outputs/__init__.py
pyfhiaims/outputs/band_structure.py
pyfhiaims/outputs/stdout.py
pyfhiaims/outputs/parser/__init__.py
pyfhiaims/outputs/parser/abc.py
pyfhiaims/outputs/parser/converters.py
pyfhiaims/outputs/parser/parsers.py
pyfhiaims/outputs/parser/utils.py
pyfhiaims/species_defaults/__init__.py
pyfhiaims/species_defaults/basis_function.py
pyfhiaims/species_defaults/basis_set.py
pyfhiaims/species_defaults/electronic_configuration.py
pyfhiaims/species_defaults/integration_grid.py
pyfhiaims/species_defaults/species.py
pyfhiaims/utils/__init__.py
pyfhiaims/utils/typecast.py
tests/__init__.py
tests/conftest.py
tests/simple_parser.py
tests/test_stdout.py
tests/test_typecast.py
tests/utils.py
tests/test_inputs/test_control/test_control.py
tests/test_inputs/test_control/test_cube.py
tests/test_inputs/test_geometry/test_atom.py
tests/test_inputs/test_geometry/test_geometry.py
tests/test_inputs/test_species/test_basis_function.py
tests/test_inputs/test_species/test_basis_set.py
tests/test_inputs/test_species/test_electronic_configuration.py
tests/test_inputs/test_species/test_integration_grid.py
tests/test_inputs/test_species/test_species_defaults.py
tests/test_parsers/test_parser.py