CHANGELOG.md
LICENSE
MANIFEST.in
README.md
pyproject.toml
setup.py
pyiron_workflow_vasp/__init__.py
pyiron_workflow_vasp/_run.py
pyiron_workflow_vasp/_version.py
pyiron_workflow_vasp/engine.py
pyiron_workflow_vasp/generic.py
pyiron_workflow_vasp/vasp.py
pyiron_workflow_vasp.egg-info/PKG-INFO
pyiron_workflow_vasp.egg-info/SOURCES.txt
pyiron_workflow_vasp.egg-info/dependency_links.txt
pyiron_workflow_vasp.egg-info/requires.txt
pyiron_workflow_vasp.egg-info/top_level.txt
pyiron_workflow_vasp/vasp_parser/__init__.py
pyiron_workflow_vasp/vasp_parser/outcar.py
pyiron_workflow_vasp/vasp_parser/output.py
pyiron_workflow_vasp/vasp_resources/vasp_pseudopotential_GGA_MPRelaxSet_data.csv
pyiron_workflow_vasp/vasp_resources/vasp_pseudopotential_GGA_MatPES_data.csv
pyiron_workflow_vasp/vasp_resources/vasp_pseudopotential_GGA_data.csv
pyiron_workflow_vasp/vasp_resources/vasp_pseudopotential_LDA_data.csv
tests/__init__.py
tests/conftest.py
tests/test_generic.py
tests/test_imports.py
tests/test_outcar_regression.py
tests/test_smoke.py
tests/test_vasp_job.py
tests/test_vasp_nodes.py
tests/fixtures/README.md
tests/fixtures/__init__.py
tests/fixtures/generate.py
tests/fixtures/cu_minimize/.gitkeep
tests/fixtures/cu_static/.gitkeep
tests/fixtures/vasp_isif7_fe2/CONTCAR
tests/fixtures/vasp_isif7_fe2/INCAR
tests/fixtures/vasp_isif7_fe2/OUTCAR
tests/fixtures/vasp_isif7_fe2/POSCAR
tests/fixtures/vasp_isif7_fe2/vasprun.xml
tests/fixtures/vasp_outcar_fe_bcc/INCAR
tests/fixtures/vasp_outcar_fe_bcc/OUTCAR
tests/fixtures/vasp_outcar_fe_bcc/POSCAR
tests/integration/README.md
tests/integration/test_real_vasp.py
tests/unit/__init__.py
tests/unit/test_engine_conformance.py
tests/unit/test_engine_shape.py
tests/unit/test_numerical_regression.py
tests/unit/test_run_vasp.py