LICENSE
MANIFEST.in
README.md
THIRD_PARTY_NOTICES.md
pyproject.toml
requirements-verified.txt
docs/anh-config-reference.zh-CN.md
docs/config-reference.zh-CN.md
docs/qha-config-reference.zh-CN.md
examples/sio2/config.yaml
examples/sio2/inputs/POSCAR
examples/sio2/inputs/dispatcher/machine.json.example
examples/sio2/inputs/dispatcher/resources.json.example
examples/sio2/inputs/vasp/INCAR
examples/sio2/inputs/vasp/KPOINTS
examples/sio2/inputs/vasp/README.md
models/README.md
skills/materials-science/phonon-kit/SKILL.md
skills/materials-science/phonon-kit/agents/openai.yaml
skills/materials-science/phonon-kit/references/anharmonic-workflow.md
skills/materials-science/phonon-kit/references/configuration.md
skills/materials-science/phonon-kit/references/qha-workflow.md
skills/materials-science/phonon-kit/references/results-and-recovery.md
skills/materials-science/phonon-kit/references/scientific-interpretation.md
src/dpa_phonon.egg-info/PKG-INFO
src/dpa_phonon.egg-info/SOURCES.txt
src/dpa_phonon.egg-info/dependency_links.txt
src/dpa_phonon.egg-info/entry_points.txt
src/dpa_phonon.egg-info/requires.txt
src/dpa_phonon.egg-info/top_level.txt
src/phonon_kit/__init__.py
src/phonon_kit/analysis.py
src/phonon_kit/anh_analysis.py
src/phonon_kit/anh_compare.py
src/phonon_kit/anh_config.py
src/phonon_kit/anh_deepmd.py
src/phonon_kit/anh_initializer.py
src/phonon_kit/anh_runner.py
src/phonon_kit/anh_snapshot.py
src/phonon_kit/anh_state.py
src/phonon_kit/anh_structure.py
src/phonon_kit/anh_worker.py
src/phonon_kit/cli.py
src/phonon_kit/compare.py
src/phonon_kit/config.py
src/phonon_kit/deepmd_worker.py
src/phonon_kit/dispatcher.py
src/phonon_kit/errors.py
src/phonon_kit/initializer.py
src/phonon_kit/model_manager.py
src/phonon_kit/qha_analysis.py
src/phonon_kit/qha_config.py
src/phonon_kit/qha_deepmd.py
src/phonon_kit/qha_dispatcher.py
src/phonon_kit/qha_initializer.py
src/phonon_kit/qha_runner.py
src/phonon_kit/qha_state.py
src/phonon_kit/qha_structure.py
src/phonon_kit/qha_validation.py
src/phonon_kit/qha_vasp.py
src/phonon_kit/runner.py
src/phonon_kit/snapshot.py
src/phonon_kit/state.py
src/phonon_kit/structure.py
src/phonon_kit/util.py
src/phonon_kit/validation.py
src/phonon_kit/vasp_input.py
src/phonon_kit/data/models/dpa4_0704.pt
src/phonon_kit/data/models/dpa4_0704.pt.sha256
src/phonon_kit/providers/__init__.py
src/phonon_kit/providers/base.py
src/phonon_kit/providers/deepmd.py
src/phonon_kit/providers/vasp.py
tests/conftest.py
tests/test_analysis.py
tests/test_anh_analysis.py
tests/test_anh_config.py
tests/test_anh_runner.py
tests/test_compare.py
tests/test_config.py
tests/test_deepmd_real.py
tests/test_dispatcher.py
tests/test_hermes_skill.py
tests/test_init.py
tests/test_legacy_result.py
tests/test_model_manager.py
tests/test_qha_analysis.py
tests/test_qha_config.py
tests/test_qha_dispatcher.py
tests/test_qha_init_state.py
tests/test_qha_relax.py
tests/test_qha_structure.py
tests/test_qha_vasp.py
tests/test_resume.py
tests/test_snapshot.py
tests/test_state.py
tests/test_structure.py
tests/test_vasp.py