LICENSE
README.md
pyproject.toml
pyfhiaims/__init__.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/geometry/__init__.py
pyfhiaims/geometry/atom.py
pyfhiaims/geometry/geometry.py
pyfhiaims/geometry/periodic_table.py
pyfhiaims/outputs/__init__.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
scripts/gen_ref_pages.py
test/pymatgen-io-aims-main-901ef322dddc6427349716526613184faecb9a29-tests/tests/io/aims/__init__.py
test/pymatgen-io-aims-main-901ef322dddc6427349716526613184faecb9a29-tests/tests/io/aims/conftest.py
test/pymatgen-io-aims-main-901ef322dddc6427349716526613184faecb9a29-tests/tests/io/aims/test_inputs.py
test/pymatgen-io-aims-main-901ef322dddc6427349716526613184faecb9a29-tests/tests/io/aims/test_outputs.py
test/pymatgen-io-aims-main-901ef322dddc6427349716526613184faecb9a29-tests/tests/io/aims/sets/__init__.py
test/pymatgen-io-aims-main-901ef322dddc6427349716526613184faecb9a29-tests/tests/io/aims/sets/test_bs_generator.py
test/pymatgen-io-aims-main-901ef322dddc6427349716526613184faecb9a29-tests/tests/io/aims/sets/test_gw_generator.py
test/pymatgen-io-aims-main-901ef322dddc6427349716526613184faecb9a29-tests/tests/io/aims/sets/test_input_set.py
test/pymatgen-io-aims-main-901ef322dddc6427349716526613184faecb9a29-tests/tests/io/aims/sets/test_md_generator.py
test/pymatgen-io-aims-main-901ef322dddc6427349716526613184faecb9a29-tests/tests/io/aims/sets/test_relax_generator.py
test/pymatgen-io-aims-main-901ef322dddc6427349716526613184faecb9a29-tests/tests/io/aims/sets/test_static_generator.py
test/pymatgen-io-aims-main-901ef322dddc6427349716526613184faecb9a29-tests/tests/io/aims/sets/test_static_restart_from_relax_generator.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_control/test_plus_u_matrix_control.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