README.md
pyproject.toml
src/scope/__init__.py
src/scope/classes_atom.py
src/scope/classes_cell.py
src/scope/classes_cif.py
src/scope/classes_data.py
src/scope/classes_environment.py
src/scope/classes_input.py
src/scope/classes_qc.py
src/scope/classes_queue.py
src/scope/classes_specie.py
src/scope/classes_state.py
src/scope/classes_system.py
src/scope/classes_workflow.py
src/scope/connectivity.py
src/scope/constants.py
src/scope/cshm.py
src/scope/elementdata.py
src/scope/findiff.py
src/scope/geometry.py
src/scope/other.py
src/scope/parse_general.py
src/scope/read_write.py
src/scope/reconstruct.py
src/scope/register_data.py
src/scope/thermodynamics.py
src/scope/vnm_tools.py
src/scope/cli/__init__.py
src/scope/cli/config.py
src/scope/cli/create_many.py
src/scope/cli/create_single.py
src/scope/cli/main.py
src/scope/cli/run.py
src/scope/cli/set_path.py
src/scope/operations/dicts_and_lists.py
src/scope/operations/graphs.py
src/scope/operations/vecs_and_mats.py
src/scope/software/gaussian/__init__.py
src/scope/software/gaussian/g16_input.py
src/scope/software/gaussian/g16_output.py
src/scope/software/gaussian/g16_parse.py
src/scope/software/quantum_espresso/__init__.py
src/scope/software/quantum_espresso/qe_functions.py
src/scope/software/quantum_espresso/qe_input.py
src/scope/software/quantum_espresso/qe_output.py
src/scope/software/quantum_espresso/qe_parse.py
src/scope/utils/__init__.py
src/scope/utils/core_tools.py
src/scope/utils/run_task.py
src/scope_qc.egg-info/PKG-INFO
src/scope_qc.egg-info/SOURCES.txt
src/scope_qc.egg-info/dependency_links.txt
src/scope_qc.egg-info/entry_points.txt
src/scope_qc.egg-info/requires.txt
src/scope_qc.egg-info/top_level.txt