LICENSE
README.md
pyproject.toml
src/matcalc/__init__.py
src/matcalc/_base.py
src/matcalc/_cli.py
src/matcalc/_elasticity.py
src/matcalc/_eos.py
src/matcalc/_lammps.py
src/matcalc/_md.py
src/matcalc/_neb.py
src/matcalc/_phonon.py
src/matcalc/_phonon3.py
src/matcalc/_qha.py
src/matcalc/_relaxation.py
src/matcalc/_stability.py
src/matcalc/_surface.py
src/matcalc/benchmark.py
src/matcalc/config.py
src/matcalc/py.typed
src/matcalc/units.py
src/matcalc/utils.py
src/matcalc.egg-info/PKG-INFO
src/matcalc.egg-info/SOURCES.txt
src/matcalc.egg-info/dependency_links.txt
src/matcalc.egg-info/entry_points.txt
src/matcalc.egg-info/requires.txt
src/matcalc.egg-info/top_level.txt
src/matcalc/backend/__init__.py
src/matcalc/backend/_ase.py
src/matcalc/backend/_base.py
src/matcalc/backend/_lammps.py
src/matcalc/elemental_refs/MP-PBE-Element-Refs.json.gz
src/matcalc/elemental_refs/MatPES-PBE-Element-Refs.json.gz
src/matcalc/elemental_refs/MatPES-r2SCAN-Element-Refs.json.gz
tests/test_backend_ase.py
tests/test_benchmark.py
tests/test_chain.py
tests/test_cli.py
tests/test_elasticity.py
tests/test_eos.py
tests/test_lammps.py
tests/test_md.py
tests/test_neb.py
tests/test_phonon.py
tests/test_phonon3.py
tests/test_qha.py
tests/test_relaxation.py
tests/test_stability.py
tests/test_surface.py
tests/test_utils.py