LICENCE
README.md
pyproject.toml
setup.cfg
src/ase2sprkkr/__init__.py
src/ase2sprkkr/version.py
src/ase2sprkkr.egg-info/PKG-INFO
src/ase2sprkkr.egg-info/SOURCES.txt
src/ase2sprkkr.egg-info/dependency_links.txt
src/ase2sprkkr.egg-info/requires.txt
src/ase2sprkkr.egg-info/top_level.txt
src/ase2sprkkr/common/__init__.py
src/ase2sprkkr/common/conf_common.py
src/ase2sprkkr/common/conf_containers.py
src/ase2sprkkr/common/configuration_definitions.py
src/ase2sprkkr/common/formats.py
src/ase2sprkkr/common/grammar.py
src/ase2sprkkr/common/grammar_types.py
src/ase2sprkkr/common/init_tests.py
src/ase2sprkkr/common/misc.py
src/ase2sprkkr/common/options.py
src/ase2sprkkr/common/process_output_reader.py
src/ase2sprkkr/common/regex_trie.py
src/ase2sprkkr/common/unique_values.py
src/ase2sprkkr/input_parameters/__init__.py
src/ase2sprkkr/input_parameters/input_parameters.py
src/ase2sprkkr/input_parameters/input_parameters_definitions.py
src/ase2sprkkr/input_parameters/output_definitions.py
src/ase2sprkkr/input_parameters/task_result.py
src/ase2sprkkr/input_parameters/definitions/__init__.py
src/ase2sprkkr/input_parameters/definitions/arpes.py
src/ase2sprkkr/input_parameters/definitions/dos.py
src/ase2sprkkr/input_parameters/definitions/phagen.py
src/ase2sprkkr/input_parameters/definitions/scf.py
src/ase2sprkkr/input_parameters/definitions/sections.py
src/ase2sprkkr/input_parameters/outputs/__init__.py
src/ase2sprkkr/input_parameters/outputs/default.py
src/ase2sprkkr/input_parameters/outputs/scf.py
src/ase2sprkkr/input_parameters/test/__init__.py
src/ase2sprkkr/input_parameters/test/init_tests.py
src/ase2sprkkr/input_parameters/test/test_definitions.py
src/ase2sprkkr/input_parameters/test/test_input_parameters.py
src/ase2sprkkr/input_parameters/test/test_output.py
src/ase2sprkkr/potential/__init__.py
src/ase2sprkkr/potential/custom_potential_section.py
src/ase2sprkkr/potential/io_data.py
src/ase2sprkkr/potential/potential_definitions.py
src/ase2sprkkr/potential/potential_sections.py
src/ase2sprkkr/potential/potentials.py
src/ase2sprkkr/potential/definitions/__init__.py
src/ase2sprkkr/potential/definitions/potential.py
src/ase2sprkkr/potential/definitions/sections/__init__.py
src/ase2sprkkr/potential/definitions/sections/global_system_parameter.py
src/ase2sprkkr/potential/definitions/sections/lattice.py
src/ase2sprkkr/potential/definitions/sections/mesh_information.py
src/ase2sprkkr/potential/definitions/sections/occupation.py
src/ase2sprkkr/potential/definitions/sections/reference_system.py
src/ase2sprkkr/potential/definitions/sections/sites.py
src/ase2sprkkr/potential/definitions/sections/types.py
src/ase2sprkkr/potential/test/__init__.py
src/ase2sprkkr/potential/test/init_tests.py
src/ase2sprkkr/potential/test/test_custom_section.py
src/ase2sprkkr/potential/test/test_potential.py
src/ase2sprkkr/potential/test/test_structure.py
src/ase2sprkkr/sprkkr/__init__.py
src/ase2sprkkr/sprkkr/atomic_types.py
src/ase2sprkkr/sprkkr/calculator.py
src/ase2sprkkr/sprkkr/occupations.py
src/ase2sprkkr/sprkkr/radial_meshes.py
src/ase2sprkkr/sprkkr/reference_systems.py
src/ase2sprkkr/sprkkr/sites.py
src/ase2sprkkr/sprkkr/sprkkr_atoms.py
src/ase2sprkkr/sprkkr/structure.py