.pre-commit-config.yaml
LICENSE
README.md
pyproject.toml
.github/workflows/publish-to-test-pypi.yml
docs/calc_derivative.md
docs/calc_features.md
docs/calc_properties.md
docs/cluster_search.md
docs/mc.md
docs/regression.md
docs/sample_derivative.md
docs/tutorial-alloy.md
docs/tutorial-subs.md
examples/Ag-Au/fcc-primitive
examples/Ag-Au/pyclupan_derivatives_2.yaml
examples/Ag-Au/pyclupan_derivatives_3.yaml
examples/Ag-Au/pyclupan_derivatives_4.yaml
examples/Ag-Au/pyclupan_derivatives_5.yaml
examples/Ag-Au/pyclupan_derivatives_6.yaml
examples/Ag-Au/DFT/pyclupan_sample_attrs.yaml
examples/Ag-Au/DFT/2-0-0/POSCAR
examples/Ag-Au/DFT/2-0-0/poscar_pypolymlp
examples/Ag-Au/DFT/2-0-0/vasprun.xml
examples/Ag-Au/DFT/2-1-0/POSCAR
examples/Ag-Au/DFT/2-1-0/vasprun.xml
examples/Ag-Au/DFT/3-0-0/POSCAR
examples/Ag-Au/DFT/3-0-0/vasprun.xml
examples/Ag-Au/DFT/3-0-1/POSCAR
examples/Ag-Au/DFT/3-0-1/vasprun.xml
examples/Ag-Au/DFT/3-1-0/POSCAR
examples/Ag-Au/DFT/3-1-0/vasprun.xml
examples/Ag-Au/DFT/3-1-1/POSCAR
examples/Ag-Au/DFT/3-1-1/vasprun.xml
examples/Ag-Au/DFT/3-2-0/POSCAR
examples/Ag-Au/DFT/3-2-0/vasprun.xml
examples/Ag-Au/DFT/3-2-1/POSCAR
examples/Ag-Au/DFT/3-2-1/vasprun.xml
examples/Ag-Au/DFT/4-0-0/POSCAR
examples/Ag-Au/DFT/4-0-0/vasprun.xml
examples/Ag-Au/DFT/4-0-1/POSCAR
examples/Ag-Au/DFT/4-0-1/vasprun.xml
examples/Ag-Au/DFT/4-0-2/POSCAR
examples/Ag-Au/DFT/4-0-2/vasprun.xml
examples/Ag-Au/DFT/4-1-0/POSCAR
examples/Ag-Au/DFT/4-1-0/vasprun.xml
examples/Ag-Au/DFT/4-1-1/POSCAR
examples/Ag-Au/DFT/4-1-1/vasprun.xml
examples/Ag-Au/DFT/4-1-2/POSCAR
examples/Ag-Au/DFT/4-1-2/vasprun.xml
examples/Ag-Au/DFT/4-2-0/POSCAR
examples/Ag-Au/DFT/4-2-0/vasprun.xml
examples/Ag-Au/DFT/4-2-1/POSCAR
examples/Ag-Au/DFT/4-2-1/vasprun.xml
examples/Ag-Au/DFT/4-2-2/POSCAR
examples/Ag-Au/DFT/4-2-2/vasprun.xml
examples/Ag-Au/DFT/4-3-0/POSCAR
examples/Ag-Au/DFT/4-3-0/vasprun.xml
examples/Ag-Au/DFT/4-3-1/POSCAR
examples/Ag-Au/DFT/4-3-1/vasprun.xml
examples/Ag-Au/DFT/4-3-2/POSCAR
examples/Ag-Au/DFT/4-3-2/vasprun.xml
examples/Ag-Au/DFT/4-4-0/POSCAR
examples/Ag-Au/DFT/4-4-0/vasprun.xml
examples/Ag-Au/DFT/4-4-1/POSCAR
examples/Ag-Au/DFT/4-4-1/vasprun.xml
examples/Ag-Au/DFT/4-4-2/POSCAR
examples/Ag-Au/DFT/4-4-2/vasprun.xml
examples/Ag-Au/DFT/4-5-0/POSCAR
examples/Ag-Au/DFT/4-5-0/vasprun.xml
examples/Ag-Au/DFT/4-5-1/POSCAR
examples/Ag-Au/DFT/4-5-1/vasprun.xml
examples/Ag-Au/DFT/4-6-0/POSCAR
examples/Ag-Au/DFT/4-6-0/vasprun.xml
examples/Ag-Au/DFT/4-6-1/POSCAR
examples/Ag-Au/DFT/4-6-1/vasprun.xml
examples/Ag-Au/DFT/5-0-0/POSCAR
examples/Ag-Au/DFT/5-0-0/vasprun.xml
examples/Ag-Au/DFT/5-0-1/POSCAR
examples/Ag-Au/DFT/5-0-1/vasprun.xml
examples/Ag-Au/DFT/5-0-2/POSCAR
examples/Ag-Au/DFT/5-0-2/vasprun.xml
examples/Ag-Au/DFT/5-0-3/POSCAR
examples/Ag-Au/DFT/5-0-3/vasprun.xml
examples/Ag-Au/DFT/5-0-4/POSCAR
examples/Ag-Au/DFT/5-0-4/vasprun.xml
examples/Ag-Au/DFT/5-0-5/POSCAR
examples/Ag-Au/DFT/5-0-5/vasprun.xml
examples/Ag-Au/DFT/5-1-0/POSCAR
examples/Ag-Au/DFT/5-1-0/vasprun.xml
examples/Ag-Au/DFT/5-1-1/POSCAR
examples/Ag-Au/DFT/5-1-1/vasprun.xml
examples/Ag-Au/DFT/5-1-2/POSCAR
examples/Ag-Au/DFT/5-1-2/vasprun.xml
examples/Ag-Au/DFT/5-1-3/POSCAR
examples/Ag-Au/DFT/5-1-3/vasprun.xml
examples/Ag-Au/DFT/5-1-4/POSCAR
examples/Ag-Au/DFT/5-1-4/vasprun.xml
examples/Ag-Au/DFT/5-1-5/POSCAR
examples/Ag-Au/DFT/5-1-5/vasprun.xml
examples/Ag-Au/DFT/5-2-0/POSCAR
examples/Ag-Au/DFT/5-2-0/vasprun.xml
examples/Ag-Au/DFT/5-2-1/POSCAR
examples/Ag-Au/DFT/5-2-1/vasprun.xml
examples/Ag-Au/DFT/5-2-2/POSCAR
examples/Ag-Au/DFT/5-2-2/vasprun.xml
examples/Ag-Au/DFT/5-2-3/POSCAR
examples/Ag-Au/DFT/5-2-3/vasprun.xml
examples/Ag-Au/DFT/5-2-4/POSCAR
examples/Ag-Au/DFT/5-2-4/vasprun.xml
examples/Ag-Au/DFT/5-2-5/POSCAR
examples/Ag-Au/DFT/5-2-5/vasprun.xml
examples/Ag-Au/DFT/5-3-0/POSCAR
examples/Ag-Au/DFT/5-3-0/vasprun.xml
examples/Ag-Au/DFT/5-3-1/POSCAR
examples/Ag-Au/DFT/5-3-1/vasprun.xml
examples/Ag-Au/DFT/5-3-2/POSCAR
examples/Ag-Au/DFT/5-3-2/vasprun.xml
examples/Ag-Au/DFT/5-3-3/POSCAR
examples/Ag-Au/DFT/5-3-3/vasprun.xml
examples/Ag-Au/DFT/5-3-4/POSCAR
examples/Ag-Au/DFT/5-3-4/vasprun.xml
examples/Ag-Au/DFT/5-3-5/POSCAR
examples/Ag-Au/DFT/5-3-5/vasprun.xml
examples/Ag-Au/DFT/5-4-0/POSCAR
examples/Ag-Au/DFT/5-4-0/vasprun.xml
examples/Ag-Au/DFT/5-4-1/POSCAR
examples/Ag-Au/DFT/5-4-1/vasprun.xml
examples/Ag-Au/DFT/5-4-2/POSCAR
examples/Ag-Au/DFT/5-4-2/vasprun.xml
examples/Ag-Au/DFT/5-4-3/POSCAR
examples/Ag-Au/DFT/5-4-3/vasprun.xml
examples/Ag-Au/DFT/6-0-0/POSCAR
examples/Ag-Au/DFT/6-0-0/vasprun.xml
examples/Ag-Au/DFT/6-0-1/POSCAR
examples/Ag-Au/DFT/6-0-1/vasprun.xml
examples/Ag-Au/DFT/6-0-2/POSCAR
examples/Ag-Au/DFT/6-0-2/vasprun.xml
examples/Ag-Au/DFT/6-0-3/POSCAR
examples/Ag-Au/DFT/6-0-3/vasprun.xml
examples/Ag-Au/DFT/6-0-4/POSCAR
examples/Ag-Au/DFT/6-0-4/vasprun.xml
examples/Ag-Au/DFT/6-0-5/POSCAR
examples/Ag-Au/DFT/6-0-5/vasprun.xml
examples/Ag-Au/DFT/6-0-6/POSCAR
examples/Ag-Au/DFT/6-0-6/vasprun.xml
examples/Ag-Au/DFT/6-0-7/POSCAR
examples/Ag-Au/DFT/6-0-7/vasprun.xml
examples/Ag-Au/DFT/6-1-0/POSCAR
examples/Ag-Au/DFT/6-1-0/vasprun.xml
examples/Ag-Au/DFT/6-1-1/POSCAR
examples/Ag-Au/DFT/6-1-1/vasprun.xml
examples/Ag-Au/DFT/6-1-2/POSCAR
examples/Ag-Au/DFT/6-1-2/vasprun.xml
examples/Ag-Au/DFT/6-1-3/POSCAR
examples/Ag-Au/DFT/6-1-3/vasprun.xml
examples/Ag-Au/DFT/6-1-4/POSCAR
examples/Ag-Au/DFT/6-1-4/vasprun.xml
examples/Ag-Au/DFT/6-1-5/POSCAR
examples/Ag-Au/DFT/6-1-5/vasprun.xml
examples/Ag-Au/DFT/6-1-6/POSCAR
examples/Ag-Au/DFT/6-1-6/vasprun.xml
examples/Ag-Au/DFT/6-1-7/POSCAR
examples/Ag-Au/DFT/6-1-7/vasprun.xml
examples/Ag-Au/DFT/6-2-0/POSCAR
examples/Ag-Au/DFT/6-2-0/vasprun.xml
examples/Ag-Au/DFT/6-2-1/POSCAR
examples/Ag-Au/DFT/6-2-1/vasprun.xml
examples/Ag-Au/DFT/6-2-2/POSCAR
examples/Ag-Au/DFT/6-2-2/vasprun.xml
examples/Ag-Au/DFT/6-2-3/POSCAR
examples/Ag-Au/DFT/6-2-3/vasprun.xml
examples/Ag-Au/DFT/6-2-4/POSCAR
examples/Ag-Au/DFT/6-2-4/vasprun.xml
examples/Ag-Au/DFT/6-2-5/POSCAR
examples/Ag-Au/DFT/6-2-5/vasprun.xml
examples/Ag-Au/DFT/6-2-6/POSCAR
examples/Ag-Au/DFT/6-2-6/vasprun.xml
examples/Ag-Au/DFT/6-2-7/POSCAR
examples/Ag-Au/DFT/6-2-7/vasprun.xml
examples/Ag-Au/DFT/6-3-0/POSCAR
examples/Ag-Au/DFT/6-3-0/vasprun.xml
examples/Ag-Au/DFT/6-3-1/POSCAR
examples/Ag-Au/DFT/6-3-1/vasprun.xml
examples/Ag-Au/DFT/6-3-2/POSCAR
examples/Ag-Au/DFT/6-3-2/vasprun.xml
examples/Ag-Au/DFT/6-3-3/POSCAR
examples/Ag-Au/DFT/6-3-3/vasprun.xml
examples/Ag-Au/DFT/6-3-4/POSCAR
examples/Ag-Au/DFT/6-3-4/vasprun.xml
examples/Ag-Au/DFT/6-3-5/POSCAR
examples/Ag-Au/DFT/6-3-5/vasprun.xml
examples/Ag-Au/DFT/6-3-6/POSCAR
examples/Ag-Au/DFT/6-3-6/vasprun.xml
examples/Ag-Au/DFT/6-3-7/POSCAR
examples/Ag-Au/DFT/6-3-7/vasprun.xml
examples/Ag-Au/DFT/6-4-0/POSCAR
examples/Ag-Au/DFT/6-4-0/vasprun.xml
examples/Ag-Au/DFT/6-4-1/POSCAR
examples/Ag-Au/DFT/6-4-1/vasprun.xml
examples/Ag-Au/DFT/6-4-2/POSCAR
examples/Ag-Au/DFT/6-4-2/vasprun.xml
examples/Ag-Au/DFT/6-4-3/POSCAR
examples/Ag-Au/DFT/6-4-3/vasprun.xml
examples/Ag-Au/DFT/6-4-4/POSCAR
examples/Ag-Au/DFT/6-4-4/vasprun.xml
examples/Ag-Au/DFT/6-4-5/POSCAR
examples/Ag-Au/DFT/6-4-5/vasprun.xml
examples/Ag-Au/DFT/6-4-6/POSCAR
examples/Ag-Au/DFT/6-4-6/vasprun.xml
examples/Ag-Au/DFT/6-4-7/POSCAR
examples/Ag-Au/DFT/6-4-7/vasprun.xml
examples/Ag-Au/DFT/6-5-0/POSCAR
examples/Ag-Au/DFT/6-5-0/vasprun.xml
examples/Ag-Au/DFT/6-5-1/POSCAR
examples/Ag-Au/DFT/6-5-1/vasprun.xml
examples/Ag-Au/DFT/6-5-2/POSCAR
examples/Ag-Au/DFT/6-5-2/vasprun.xml
examples/Ag-Au/DFT/6-5-3/POSCAR
examples/Ag-Au/DFT/6-5-3/vasprun.xml
examples/Ag-Au/DFT/6-5-4/POSCAR
examples/Ag-Au/DFT/6-5-4/vasprun.xml
examples/Ag-Au/DFT/6-5-5/POSCAR
examples/Ag-Au/DFT/6-5-5/vasprun.xml
examples/Ag-Au/DFT/6-5-6/POSCAR
examples/Ag-Au/DFT/6-5-6/vasprun.xml
examples/Ag-Au/DFT/6-5-7/POSCAR
examples/Ag-Au/DFT/6-5-7/vasprun.xml
examples/Ag-Au/DFT/6-6-0/POSCAR
examples/Ag-Au/DFT/6-6-0/vasprun.xml
examples/Ag-Au/DFT/6-6-1/POSCAR
examples/Ag-Au/DFT/6-6-1/vasprun.xml
examples/Ag-Au/DFT/6-6-2/POSCAR
examples/Ag-Au/DFT/6-6-2/vasprun.xml
examples/Ag-Au/DFT/6-6-3/POSCAR
examples/Ag-Au/DFT/6-6-3/vasprun.xml
examples/Ag-Au/DFT/6-6-4/POSCAR
examples/Ag-Au/DFT/6-6-4/vasprun.xml
examples/Ag-Au/DFT/6-6-5/POSCAR
examples/Ag-Au/DFT/6-6-5/vasprun.xml
examples/Ag-Au/DFT/6-6-6/POSCAR
examples/Ag-Au/DFT/6-6-6/vasprun.xml
examples/Ag-Au/DFT/6-6-7/POSCAR
examples/Ag-Au/DFT/6-6-7/vasprun.xml
examples/Ag-Au/DFT/6-7-0/POSCAR
examples/Ag-Au/DFT/6-7-0/vasprun.xml
examples/Ag-Au/DFT/6-7-1/POSCAR
examples/Ag-Au/DFT/6-7-1/vasprun.xml
examples/Ag-Au/DFT/6-7-2/POSCAR
examples/Ag-Au/DFT/6-7-2/vasprun.xml
examples/Ag-Au/DFT/6-7-3/POSCAR
examples/Ag-Au/DFT/6-7-3/vasprun.xml
examples/Ag-Au/DFT/6-7-4/POSCAR
examples/Ag-Au/DFT/6-7-4/vasprun.xml
examples/Ag-Au/DFT/6-7-5/POSCAR
examples/Ag-Au/DFT/6-7-5/vasprun.xml
examples/Ag-Au/DFT/6-7-6/POSCAR
examples/Ag-Au/DFT/6-7-6/vasprun.xml
examples/Ag-Au/DFT/6-7-7/POSCAR
examples/Ag-Au/DFT/6-7-7/vasprun.xml
examples/Ag-Au/DFT/6-8-0/POSCAR
examples/Ag-Au/DFT/6-8-0/vasprun.xml
examples/Ag-Au/DFT/6-8-1/POSCAR
examples/Ag-Au/DFT/6-8-1/vasprun.xml
examples/Ag-Au/DFT/6-8-2/POSCAR
examples/Ag-Au/DFT/6-8-2/vasprun.xml
examples/Ag-Au/DFT/6-8-3/POSCAR
examples/Ag-Au/DFT/6-8-3/vasprun.xml
examples/Ag-Au/DFT/6-8-4/POSCAR
examples/Ag-Au/DFT/6-8-4/vasprun.xml
examples/Ag-Au/DFT/6-8-5/POSCAR
examples/Ag-Au/DFT/6-8-5/vasprun.xml
examples/Ag-Au/DFT/6-8-6/POSCAR
examples/Ag-Au/DFT/6-8-6/vasprun.xml
examples/Ag-Au/DFT/6-8-7/POSCAR
examples/Ag-Au/DFT/6-8-7/vasprun.xml
examples/Ag-Au/DFT/6-9-0/POSCAR
examples/Ag-Au/DFT/6-9-0/vasprun.xml
examples/Ag-Au/DFT/6-9-1/POSCAR
examples/Ag-Au/DFT/6-9-1/vasprun.xml
examples/Ag-Au/DFT/6-9-2/POSCAR
examples/Ag-Au/DFT/6-9-2/vasprun.xml
examples/Ag-Au/DFT/6-9-3/POSCAR
examples/Ag-Au/DFT/6-9-3/vasprun.xml
examples/Ag-Au/DFT/6-9-4/POSCAR
examples/Ag-Au/DFT/6-9-4/vasprun.xml
examples/Ag-Au/DFT/6-9-5/POSCAR
examples/Ag-Au/DFT/6-9-5/vasprun.xml
examples/Ag-Au/DFT/6-9-6/POSCAR
examples/Ag-Au/DFT/6-9-6/vasprun.xml
examples/Ag-Au/DFT/6-9-7/POSCAR
examples/Ag-Au/DFT/6-9-7/vasprun.xml
examples/Cu-Ag-Au/fcc-primitive
examples/Cu-Ag-Au/pyclupan_derivatives_1.yaml
examples/Cu-Ag-Au/pyclupan_derivatives_2.yaml
examples/Cu-Ag-Au/pyclupan_derivatives_3.yaml
examples/Cu-Ag-Au/pyclupan_derivatives_4.yaml
examples/Cu-Ag-Au/pyclupan_derivatives_5.yaml
examples/Cu-Ag-Au/pyclupan_derivatives_6.yaml
examples/Cu-Ag-Au/DFT/1-0-0/POSCAR
examples/Cu-Ag-Au/DFT/1-0-0/vasprun.xml
examples/Cu-Ag-Au/DFT/1-0-1/POSCAR
examples/Cu-Ag-Au/DFT/1-0-1/vasprun.xml
examples/Cu-Ag-Au/DFT/1-0-2/POSCAR
examples/Cu-Ag-Au/DFT/1-0-2/vasprun.xml
examples/Cu-Ag-Au/DFT/2-0-0/POSCAR
examples/Cu-Ag-Au/DFT/2-0-0/vasprun.xml
examples/Cu-Ag-Au/DFT/2-0-2/POSCAR
examples/Cu-Ag-Au/DFT/2-0-2/vasprun.xml
examples/Cu-Ag-Au/DFT/2-1-0/POSCAR
examples/Cu-Ag-Au/DFT/2-1-0/vasprun.xml
examples/Cu-Ag-Au/DFT/2-1-1/POSCAR
examples/Cu-Ag-Au/DFT/2-1-1/vasprun.xml
examples/Cu-Ag-Au/DFT/2-1-2/POSCAR
examples/Cu-Ag-Au/DFT/2-1-2/vasprun.xml
examples/Cu-Ag-Au/DFT/3-0-0/POSCAR
examples/Cu-Ag-Au/DFT/3-0-0/vasprun.xml
examples/Cu-Ag-Au/DFT/3-0-1/POSCAR
examples/Cu-Ag-Au/DFT/3-0-1/vasprun.xml
examples/Cu-Ag-Au/DFT/3-0-2/POSCAR
examples/Cu-Ag-Au/DFT/3-0-2/vasprun.xml
examples/Cu-Ag-Au/DFT/3-0-3/POSCAR
examples/Cu-Ag-Au/DFT/3-0-3/vasprun.xml
examples/Cu-Ag-Au/DFT/3-0-4/POSCAR
examples/Cu-Ag-Au/DFT/3-0-4/vasprun.xml
examples/Cu-Ag-Au/DFT/3-0-5/POSCAR
examples/Cu-Ag-Au/DFT/3-0-5/vasprun.xml
examples/Cu-Ag-Au/DFT/3-0-6/POSCAR
examples/Cu-Ag-Au/DFT/3-0-6/vasprun.xml
examples/Cu-Ag-Au/DFT/3-1-0/POSCAR
examples/Cu-Ag-Au/DFT/3-1-0/vasprun.xml
examples/Cu-Ag-Au/DFT/3-1-1/POSCAR
examples/Cu-Ag-Au/DFT/3-1-1/vasprun.xml
examples/Cu-Ag-Au/DFT/3-1-2/POSCAR
examples/Cu-Ag-Au/DFT/3-1-2/vasprun.xml
examples/Cu-Ag-Au/DFT/3-1-3/POSCAR
examples/Cu-Ag-Au/DFT/3-1-3/vasprun.xml
examples/Cu-Ag-Au/DFT/3-1-4/POSCAR
examples/Cu-Ag-Au/DFT/3-1-4/vasprun.xml
examples/Cu-Ag-Au/DFT/3-1-5/POSCAR
examples/Cu-Ag-Au/DFT/3-1-5/vasprun.xml
examples/Cu-Ag-Au/DFT/3-1-6/POSCAR
examples/Cu-Ag-Au/DFT/3-1-6/vasprun.xml
examples/Cu-Ag-Au/DFT/3-2-0/POSCAR
examples/Cu-Ag-Au/DFT/3-2-0/vasprun.xml
examples/Cu-Ag-Au/DFT/3-2-1/POSCAR
examples/Cu-Ag-Au/DFT/3-2-1/vasprun.xml
examples/Cu-Ag-Au/DFT/3-2-2/POSCAR
examples/Cu-Ag-Au/DFT/3-2-2/vasprun.xml
examples/Cu-Ag-Au/DFT/3-2-3/POSCAR
examples/Cu-Ag-Au/DFT/3-2-3/vasprun.xml
examples/Cu-Ag-Au/DFT/3-2-4/POSCAR
examples/Cu-Ag-Au/DFT/3-2-4/vasprun.xml
examples/Cu-Ag-Au/DFT/3-2-5/POSCAR
examples/Cu-Ag-Au/DFT/3-2-5/vasprun.xml
examples/Cu-Ag-Au/DFT/3-2-6/POSCAR
examples/Cu-Ag-Au/DFT/3-2-6/vasprun.xml
examples/Cu-Ag-Au/DFT/4-0-0/POSCAR
examples/Cu-Ag-Au/DFT/4-0-0/vasprun.xml
examples/Cu-Ag-Au/DFT/4-0-1/POSCAR
examples/Cu-Ag-Au/DFT/4-0-1/vasprun.xml
examples/Cu-Ag-Au/DFT/4-0-10/POSCAR
examples/Cu-Ag-Au/DFT/4-0-10/vasprun.xml
examples/Cu-Ag-Au/DFT/4-0-11/POSCAR
examples/Cu-Ag-Au/DFT/4-0-11/vasprun.xml
examples/Cu-Ag-Au/DFT/4-0-12/POSCAR
examples/Cu-Ag-Au/DFT/4-0-12/vasprun.xml
examples/Cu-Ag-Au/DFT/4-0-13/POSCAR
examples/Cu-Ag-Au/DFT/4-0-13/vasprun.xml
examples/Cu-Ag-Au/DFT/4-0-14/POSCAR
examples/Cu-Ag-Au/DFT/4-0-14/vasprun.xml
examples/Cu-Ag-Au/DFT/4-0-2/POSCAR
examples/Cu-Ag-Au/DFT/4-0-2/vasprun.xml
examples/Cu-Ag-Au/DFT/4-0-3/POSCAR
examples/Cu-Ag-Au/DFT/4-0-3/vasprun.xml
examples/Cu-Ag-Au/DFT/4-0-4/POSCAR
examples/Cu-Ag-Au/DFT/4-0-4/vasprun.xml
examples/Cu-Ag-Au/DFT/4-0-5/POSCAR
examples/Cu-Ag-Au/DFT/4-0-5/vasprun.xml
examples/Cu-Ag-Au/DFT/4-0-6/POSCAR
examples/Cu-Ag-Au/DFT/4-0-6/vasprun.xml
examples/Cu-Ag-Au/DFT/4-0-7/POSCAR
examples/Cu-Ag-Au/DFT/4-0-7/vasprun.xml
examples/Cu-Ag-Au/DFT/4-0-8/POSCAR
examples/Cu-Ag-Au/DFT/4-0-8/vasprun.xml
examples/Cu-Ag-Au/DFT/4-0-9/POSCAR
examples/Cu-Ag-Au/DFT/4-0-9/vasprun.xml
examples/Cu-Ag-Au/DFT/4-1-0/POSCAR
examples/Cu-Ag-Au/DFT/4-1-0/vasprun.xml
examples/Cu-Ag-Au/DFT/4-1-1/POSCAR
examples/Cu-Ag-Au/DFT/4-1-1/vasprun.xml
examples/Cu-Ag-Au/DFT/4-1-10/POSCAR
examples/Cu-Ag-Au/DFT/4-1-10/vasprun.xml
examples/Cu-Ag-Au/DFT/4-1-11/POSCAR
examples/Cu-Ag-Au/DFT/4-1-11/vasprun.xml
examples/Cu-Ag-Au/DFT/4-1-12/POSCAR
examples/Cu-Ag-Au/DFT/4-1-12/vasprun.xml
examples/Cu-Ag-Au/DFT/4-1-13/POSCAR
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examples/Cu-Ag-Au/DFT/6-6-17/vasprun.xml
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examples/Cu-Ag-Au/DFT/6-8-38/vasprun.xml
examples/Cu-Ag-Au/DFT/6-8-39/POSCAR
examples/Cu-Ag-Au/DFT/6-8-39/vasprun.xml
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examples/Cu-Ag-Au/DFT/6-8-42/vasprun.xml
examples/Cu-Ag-Au/DFT/6-8-43/POSCAR
examples/Cu-Ag-Au/DFT/6-8-43/vasprun.xml
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examples/Cu-Ag-Au/DFT/6-8-46/vasprun.xml
examples/Cu-Ag-Au/DFT/6-8-47/POSCAR
examples/Cu-Ag-Au/DFT/6-8-47/vasprun.xml
examples/Cu-Ag-Au/DFT/6-8-48/POSCAR
examples/Cu-Ag-Au/DFT/6-8-48/vasprun.xml
examples/Cu-Ag-Au/DFT/6-8-49/POSCAR
examples/Cu-Ag-Au/DFT/6-8-49/vasprun.xml
examples/Cu-Ag-Au/DFT/6-8-5/POSCAR
examples/Cu-Ag-Au/DFT/6-8-5/vasprun.xml
examples/Cu-Ag-Au/DFT/6-8-50/POSCAR
examples/Cu-Ag-Au/DFT/6-8-50/vasprun.xml
examples/Cu-Ag-Au/DFT/6-8-51/POSCAR
examples/Cu-Ag-Au/DFT/6-8-51/vasprun.xml
examples/Cu-Ag-Au/DFT/6-8-52/POSCAR
examples/Cu-Ag-Au/DFT/6-8-52/vasprun.xml
examples/Cu-Ag-Au/DFT/6-8-53/POSCAR
examples/Cu-Ag-Au/DFT/6-8-53/vasprun.xml
examples/Cu-Ag-Au/DFT/6-8-54/POSCAR
examples/Cu-Ag-Au/DFT/6-8-54/vasprun.xml
examples/Cu-Ag-Au/DFT/6-8-55/POSCAR
examples/Cu-Ag-Au/DFT/6-8-55/vasprun.xml
examples/Cu-Ag-Au/DFT/6-8-56/POSCAR
examples/Cu-Ag-Au/DFT/6-8-56/vasprun.xml
examples/Cu-Ag-Au/DFT/6-8-57/POSCAR
examples/Cu-Ag-Au/DFT/6-8-57/vasprun.xml
examples/Cu-Ag-Au/DFT/6-8-58/POSCAR
examples/Cu-Ag-Au/DFT/6-8-58/vasprun.xml
examples/Cu-Ag-Au/DFT/6-8-59/POSCAR
examples/Cu-Ag-Au/DFT/6-8-59/vasprun.xml
examples/Cu-Ag-Au/DFT/6-8-6/POSCAR
examples/Cu-Ag-Au/DFT/6-8-6/vasprun.xml
examples/Cu-Ag-Au/DFT/6-8-60/POSCAR
examples/Cu-Ag-Au/DFT/6-8-60/vasprun.xml
examples/Cu-Ag-Au/DFT/6-8-61/POSCAR
examples/Cu-Ag-Au/DFT/6-8-61/vasprun.xml
examples/Cu-Ag-Au/DFT/6-8-62/POSCAR
examples/Cu-Ag-Au/DFT/6-8-62/vasprun.xml
examples/Cu-Ag-Au/DFT/6-8-63/POSCAR
examples/Cu-Ag-Au/DFT/6-8-63/vasprun.xml
examples/Cu-Ag-Au/DFT/6-8-64/POSCAR
examples/Cu-Ag-Au/DFT/6-8-64/vasprun.xml
examples/Cu-Ag-Au/DFT/6-8-65/POSCAR
examples/Cu-Ag-Au/DFT/6-8-65/vasprun.xml
examples/Cu-Ag-Au/DFT/6-8-66/POSCAR
examples/Cu-Ag-Au/DFT/6-8-66/vasprun.xml
examples/Cu-Ag-Au/DFT/6-8-67/POSCAR
examples/Cu-Ag-Au/DFT/6-8-67/vasprun.xml
examples/Cu-Ag-Au/DFT/6-8-68/POSCAR
examples/Cu-Ag-Au/DFT/6-8-68/vasprun.xml
examples/Cu-Ag-Au/DFT/6-8-69/POSCAR
examples/Cu-Ag-Au/DFT/6-8-69/vasprun.xml
examples/Cu-Ag-Au/DFT/6-8-7/POSCAR
examples/Cu-Ag-Au/DFT/6-8-7/vasprun.xml
examples/Cu-Ag-Au/DFT/6-8-70/POSCAR
examples/Cu-Ag-Au/DFT/6-8-70/vasprun.xml
examples/Cu-Ag-Au/DFT/6-8-71/POSCAR
examples/Cu-Ag-Au/DFT/6-8-71/vasprun.xml
examples/Cu-Ag-Au/DFT/6-8-72/POSCAR
examples/Cu-Ag-Au/DFT/6-8-72/vasprun.xml
examples/Cu-Ag-Au/DFT/6-8-73/POSCAR
examples/Cu-Ag-Au/DFT/6-8-73/vasprun.xml
examples/Cu-Ag-Au/DFT/6-8-74/POSCAR
examples/Cu-Ag-Au/DFT/6-8-74/vasprun.xml
examples/Cu-Ag-Au/DFT/6-8-75/POSCAR
examples/Cu-Ag-Au/DFT/6-8-75/vasprun.xml
examples/Cu-Ag-Au/DFT/6-8-76/POSCAR
examples/Cu-Ag-Au/DFT/6-8-76/vasprun.xml
examples/Cu-Ag-Au/DFT/6-8-77/POSCAR
examples/Cu-Ag-Au/DFT/6-8-77/vasprun.xml
examples/Cu-Ag-Au/DFT/6-8-78/POSCAR
examples/Cu-Ag-Au/DFT/6-8-78/vasprun.xml
examples/Cu-Ag-Au/DFT/6-8-8/POSCAR
examples/Cu-Ag-Au/DFT/6-8-8/vasprun.xml
examples/Cu-Ag-Au/DFT/6-8-9/POSCAR
examples/Cu-Ag-Au/DFT/6-8-9/vasprun.xml
examples/Cu-Ag-Au/DFT/6-9-0/POSCAR
examples/Cu-Ag-Au/DFT/6-9-0/vasprun.xml
examples/Cu-Ag-Au/DFT/6-9-1/POSCAR
examples/Cu-Ag-Au/DFT/6-9-1/vasprun.xml
examples/Cu-Ag-Au/DFT/6-9-10/POSCAR
examples/Cu-Ag-Au/DFT/6-9-10/vasprun.xml
examples/Cu-Ag-Au/DFT/6-9-11/POSCAR
examples/Cu-Ag-Au/DFT/6-9-11/vasprun.xml
examples/Cu-Ag-Au/DFT/6-9-12/POSCAR
examples/Cu-Ag-Au/DFT/6-9-12/vasprun.xml
examples/Cu-Ag-Au/DFT/6-9-13/POSCAR
examples/Cu-Ag-Au/DFT/6-9-13/vasprun.xml
examples/Cu-Ag-Au/DFT/6-9-14/POSCAR
examples/Cu-Ag-Au/DFT/6-9-14/vasprun.xml
examples/Cu-Ag-Au/DFT/6-9-15/POSCAR
examples/Cu-Ag-Au/DFT/6-9-15/vasprun.xml
examples/Cu-Ag-Au/DFT/6-9-16/POSCAR
examples/Cu-Ag-Au/DFT/6-9-16/vasprun.xml
examples/Cu-Ag-Au/DFT/6-9-17/POSCAR
examples/Cu-Ag-Au/DFT/6-9-17/vasprun.xml
examples/Cu-Ag-Au/DFT/6-9-18/POSCAR
examples/Cu-Ag-Au/DFT/6-9-18/vasprun.xml
examples/Cu-Ag-Au/DFT/6-9-19/POSCAR
examples/Cu-Ag-Au/DFT/6-9-19/vasprun.xml
examples/Cu-Ag-Au/DFT/6-9-2/POSCAR
examples/Cu-Ag-Au/DFT/6-9-2/vasprun.xml
examples/Cu-Ag-Au/DFT/6-9-20/POSCAR
examples/Cu-Ag-Au/DFT/6-9-20/vasprun.xml
examples/Cu-Ag-Au/DFT/6-9-21/POSCAR
examples/Cu-Ag-Au/DFT/6-9-21/vasprun.xml
examples/Cu-Ag-Au/DFT/6-9-22/POSCAR
examples/Cu-Ag-Au/DFT/6-9-22/vasprun.xml
examples/Cu-Ag-Au/DFT/6-9-23/POSCAR
examples/Cu-Ag-Au/DFT/6-9-23/vasprun.xml
examples/Cu-Ag-Au/DFT/6-9-24/POSCAR
examples/Cu-Ag-Au/DFT/6-9-24/vasprun.xml
examples/Cu-Ag-Au/DFT/6-9-25/POSCAR
examples/Cu-Ag-Au/DFT/6-9-25/vasprun.xml
examples/Cu-Ag-Au/DFT/6-9-26/POSCAR
examples/Cu-Ag-Au/DFT/6-9-26/vasprun.xml
examples/Cu-Ag-Au/DFT/6-9-27/POSCAR
examples/Cu-Ag-Au/DFT/6-9-27/vasprun.xml
examples/Cu-Ag-Au/DFT/6-9-28/POSCAR
examples/Cu-Ag-Au/DFT/6-9-28/vasprun.xml
examples/Cu-Ag-Au/DFT/6-9-29/POSCAR
examples/Cu-Ag-Au/DFT/6-9-29/vasprun.xml
examples/Cu-Ag-Au/DFT/6-9-3/POSCAR
examples/Cu-Ag-Au/DFT/6-9-3/vasprun.xml
examples/Cu-Ag-Au/DFT/6-9-30/POSCAR
examples/Cu-Ag-Au/DFT/6-9-30/vasprun.xml
examples/Cu-Ag-Au/DFT/6-9-31/POSCAR
examples/Cu-Ag-Au/DFT/6-9-31/vasprun.xml
examples/Cu-Ag-Au/DFT/6-9-32/POSCAR
examples/Cu-Ag-Au/DFT/6-9-32/vasprun.xml
examples/Cu-Ag-Au/DFT/6-9-33/POSCAR
examples/Cu-Ag-Au/DFT/6-9-33/vasprun.xml
examples/Cu-Ag-Au/DFT/6-9-34/POSCAR
examples/Cu-Ag-Au/DFT/6-9-34/vasprun.xml
examples/Cu-Ag-Au/DFT/6-9-35/POSCAR
examples/Cu-Ag-Au/DFT/6-9-35/vasprun.xml
examples/Cu-Ag-Au/DFT/6-9-36/POSCAR
examples/Cu-Ag-Au/DFT/6-9-36/vasprun.xml
examples/Cu-Ag-Au/DFT/6-9-37/POSCAR
examples/Cu-Ag-Au/DFT/6-9-37/vasprun.xml
examples/Cu-Ag-Au/DFT/6-9-38/POSCAR
examples/Cu-Ag-Au/DFT/6-9-38/vasprun.xml
examples/Cu-Ag-Au/DFT/6-9-39/POSCAR
examples/Cu-Ag-Au/DFT/6-9-39/vasprun.xml
examples/Cu-Ag-Au/DFT/6-9-4/POSCAR
examples/Cu-Ag-Au/DFT/6-9-4/vasprun.xml
examples/Cu-Ag-Au/DFT/6-9-40/POSCAR
examples/Cu-Ag-Au/DFT/6-9-40/vasprun.xml
examples/Cu-Ag-Au/DFT/6-9-41/POSCAR
examples/Cu-Ag-Au/DFT/6-9-41/vasprun.xml
examples/Cu-Ag-Au/DFT/6-9-42/POSCAR
examples/Cu-Ag-Au/DFT/6-9-42/vasprun.xml
examples/Cu-Ag-Au/DFT/6-9-43/POSCAR
examples/Cu-Ag-Au/DFT/6-9-43/vasprun.xml
examples/Cu-Ag-Au/DFT/6-9-44/POSCAR
examples/Cu-Ag-Au/DFT/6-9-44/vasprun.xml
examples/Cu-Ag-Au/DFT/6-9-45/POSCAR
examples/Cu-Ag-Au/DFT/6-9-45/vasprun.xml
examples/Cu-Ag-Au/DFT/6-9-46/POSCAR
examples/Cu-Ag-Au/DFT/6-9-46/vasprun.xml
examples/Cu-Ag-Au/DFT/6-9-47/POSCAR
examples/Cu-Ag-Au/DFT/6-9-47/vasprun.xml
examples/Cu-Ag-Au/DFT/6-9-48/POSCAR
examples/Cu-Ag-Au/DFT/6-9-48/vasprun.xml
examples/Cu-Ag-Au/DFT/6-9-49/POSCAR
examples/Cu-Ag-Au/DFT/6-9-49/vasprun.xml
examples/Cu-Ag-Au/DFT/6-9-5/POSCAR
examples/Cu-Ag-Au/DFT/6-9-5/vasprun.xml
examples/Cu-Ag-Au/DFT/6-9-50/POSCAR
examples/Cu-Ag-Au/DFT/6-9-50/vasprun.xml
examples/Cu-Ag-Au/DFT/6-9-51/POSCAR
examples/Cu-Ag-Au/DFT/6-9-51/vasprun.xml
examples/Cu-Ag-Au/DFT/6-9-52/POSCAR
examples/Cu-Ag-Au/DFT/6-9-52/vasprun.xml
examples/Cu-Ag-Au/DFT/6-9-53/POSCAR
examples/Cu-Ag-Au/DFT/6-9-53/vasprun.xml
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examples/Cu-Ag-Au/DFT/6-9-54/vasprun.xml
examples/Cu-Ag-Au/DFT/6-9-55/POSCAR
examples/Cu-Ag-Au/DFT/6-9-55/vasprun.xml
examples/Cu-Ag-Au/DFT/6-9-56/POSCAR
examples/Cu-Ag-Au/DFT/6-9-56/vasprun.xml
examples/Cu-Ag-Au/DFT/6-9-57/POSCAR
examples/Cu-Ag-Au/DFT/6-9-57/vasprun.xml
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examples/Cu-Ag-Au/DFT/6-9-58/vasprun.xml
examples/Cu-Ag-Au/DFT/6-9-59/POSCAR
examples/Cu-Ag-Au/DFT/6-9-59/vasprun.xml
examples/Cu-Ag-Au/DFT/6-9-6/POSCAR
examples/Cu-Ag-Au/DFT/6-9-6/vasprun.xml
examples/Cu-Ag-Au/DFT/6-9-60/POSCAR
examples/Cu-Ag-Au/DFT/6-9-60/vasprun.xml
examples/Cu-Ag-Au/DFT/6-9-61/POSCAR
examples/Cu-Ag-Au/DFT/6-9-61/vasprun.xml
examples/Cu-Ag-Au/DFT/6-9-62/POSCAR
examples/Cu-Ag-Au/DFT/6-9-62/vasprun.xml
examples/Cu-Ag-Au/DFT/6-9-63/POSCAR
examples/Cu-Ag-Au/DFT/6-9-63/vasprun.xml
examples/Cu-Ag-Au/DFT/6-9-64/POSCAR
examples/Cu-Ag-Au/DFT/6-9-64/vasprun.xml
examples/Cu-Ag-Au/DFT/6-9-65/POSCAR
examples/Cu-Ag-Au/DFT/6-9-65/vasprun.xml
examples/Cu-Ag-Au/DFT/6-9-66/POSCAR
examples/Cu-Ag-Au/DFT/6-9-66/vasprun.xml
examples/Cu-Ag-Au/DFT/6-9-67/POSCAR
examples/Cu-Ag-Au/DFT/6-9-67/vasprun.xml
examples/Cu-Ag-Au/DFT/6-9-68/POSCAR
examples/Cu-Ag-Au/DFT/6-9-68/vasprun.xml
examples/Cu-Ag-Au/DFT/6-9-69/POSCAR
examples/Cu-Ag-Au/DFT/6-9-69/vasprun.xml
examples/Cu-Ag-Au/DFT/6-9-7/POSCAR
examples/Cu-Ag-Au/DFT/6-9-7/vasprun.xml
examples/Cu-Ag-Au/DFT/6-9-70/POSCAR
examples/Cu-Ag-Au/DFT/6-9-70/vasprun.xml
examples/Cu-Ag-Au/DFT/6-9-71/POSCAR
examples/Cu-Ag-Au/DFT/6-9-71/vasprun.xml
examples/Cu-Ag-Au/DFT/6-9-72/POSCAR
examples/Cu-Ag-Au/DFT/6-9-72/vasprun.xml
examples/Cu-Ag-Au/DFT/6-9-73/POSCAR
examples/Cu-Ag-Au/DFT/6-9-73/vasprun.xml
examples/Cu-Ag-Au/DFT/6-9-74/POSCAR
examples/Cu-Ag-Au/DFT/6-9-74/vasprun.xml
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examples/Cu-Ag-Au/DFT/6-9-75/vasprun.xml
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examples/Cu-Ag-Au/DFT/6-9-76/vasprun.xml
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examples/Cu-Ag-Au/DFT/6-9-77/vasprun.xml
examples/Cu-Ag-Au/DFT/6-9-78/POSCAR
examples/Cu-Ag-Au/DFT/6-9-78/vasprun.xml
examples/Cu-Ag-Au/DFT/6-9-8/POSCAR
examples/Cu-Ag-Au/DFT/6-9-8/vasprun.xml
examples/Cu-Ag-Au/DFT/6-9-9/POSCAR
examples/Cu-Ag-Au/DFT/6-9-9/vasprun.xml
examples/SrCuOx/perovskite-unitcell
examples/SrCuOx/DFT/1-0-0/POSCAR
examples/SrCuOx/DFT/1-0-0/vasprun.xml
examples/SrCuOx/DFT/1-0-1/POSCAR
examples/SrCuOx/DFT/1-0-1/vasprun.xml
examples/SrCuOx/DFT/2-0-0/POSCAR
examples/SrCuOx/DFT/2-0-0/vasprun.xml
examples/SrCuOx/DFT/2-0-1/POSCAR
examples/SrCuOx/DFT/2-0-1/vasprun.xml
examples/SrCuOx/DFT/2-0-2/POSCAR
examples/SrCuOx/DFT/2-0-2/vasprun.xml
examples/SrCuOx/DFT/2-0-3/POSCAR
examples/SrCuOx/DFT/2-0-3/vasprun.xml
examples/SrCuOx/DFT/2-0-4/POSCAR
examples/SrCuOx/DFT/2-0-4/vasprun.xml
examples/SrCuOx/DFT/2-1-0/POSCAR
examples/SrCuOx/DFT/2-1-0/vasprun.xml
examples/SrCuOx/DFT/2-1-1/POSCAR
examples/SrCuOx/DFT/2-1-1/vasprun.xml
examples/SrCuOx/DFT/2-1-2/POSCAR
examples/SrCuOx/DFT/2-1-2/vasprun.xml
examples/SrCuOx/DFT/2-1-3/POSCAR
examples/SrCuOx/DFT/2-1-3/vasprun.xml
examples/SrCuOx/DFT/2-2-0/POSCAR
examples/SrCuOx/DFT/2-2-0/vasprun.xml
examples/SrCuOx/DFT/2-2-1/POSCAR
examples/SrCuOx/DFT/2-2-1/vasprun.xml
examples/SrCuOx/DFT/3-0-0/POSCAR
examples/SrCuOx/DFT/3-0-0/vasprun.xml
examples/SrCuOx/DFT/3-0-1/POSCAR
examples/SrCuOx/DFT/3-0-1/vasprun.xml
examples/SrCuOx/DFT/3-0-10/POSCAR
examples/SrCuOx/DFT/3-0-10/vasprun.xml
examples/SrCuOx/DFT/3-0-11/POSCAR
examples/SrCuOx/DFT/3-0-11/vasprun.xml
examples/SrCuOx/DFT/3-0-12/POSCAR
examples/SrCuOx/DFT/3-0-12/vasprun.xml
examples/SrCuOx/DFT/3-0-13/POSCAR
examples/SrCuOx/DFT/3-0-13/vasprun.xml
examples/SrCuOx/DFT/3-0-14/POSCAR
examples/SrCuOx/DFT/3-0-14/vasprun.xml
examples/SrCuOx/DFT/3-0-15/POSCAR
examples/SrCuOx/DFT/3-0-15/vasprun.xml
examples/SrCuOx/DFT/3-0-16/POSCAR
examples/SrCuOx/DFT/3-0-16/vasprun.xml
examples/SrCuOx/DFT/3-0-17/POSCAR
examples/SrCuOx/DFT/3-0-17/vasprun.xml
examples/SrCuOx/DFT/3-0-2/POSCAR
examples/SrCuOx/DFT/3-0-2/vasprun.xml
examples/SrCuOx/DFT/3-0-3/POSCAR
examples/SrCuOx/DFT/3-0-3/vasprun.xml
examples/SrCuOx/DFT/3-0-4/POSCAR
examples/SrCuOx/DFT/3-0-4/vasprun.xml
examples/SrCuOx/DFT/3-0-5/POSCAR
examples/SrCuOx/DFT/3-0-5/vasprun.xml
examples/SrCuOx/DFT/3-0-6/POSCAR
examples/SrCuOx/DFT/3-0-6/vasprun.xml
examples/SrCuOx/DFT/3-0-7/POSCAR
examples/SrCuOx/DFT/3-0-7/vasprun.xml
examples/SrCuOx/DFT/3-0-8/POSCAR
examples/SrCuOx/DFT/3-0-8/vasprun.xml
examples/SrCuOx/DFT/3-0-9/POSCAR
examples/SrCuOx/DFT/3-0-9/vasprun.xml
examples/SrCuOx/DFT/3-1-0/POSCAR
examples/SrCuOx/DFT/3-1-0/vasprun.xml
examples/SrCuOx/DFT/3-1-1/POSCAR
examples/SrCuOx/DFT/3-1-1/vasprun.xml
examples/SrCuOx/DFT/3-1-10/POSCAR
examples/SrCuOx/DFT/3-1-10/vasprun.xml
examples/SrCuOx/DFT/3-1-11/POSCAR
examples/SrCuOx/DFT/3-1-11/vasprun.xml
examples/SrCuOx/DFT/3-1-12/POSCAR
examples/SrCuOx/DFT/3-1-12/vasprun.xml
examples/SrCuOx/DFT/3-1-13/POSCAR
examples/SrCuOx/DFT/3-1-13/vasprun.xml
examples/SrCuOx/DFT/3-1-14/POSCAR
examples/SrCuOx/DFT/3-1-14/vasprun.xml
examples/SrCuOx/DFT/3-1-15/POSCAR
examples/SrCuOx/DFT/3-1-15/vasprun.xml
examples/SrCuOx/DFT/3-1-16/POSCAR
examples/SrCuOx/DFT/3-1-16/vasprun.xml
examples/SrCuOx/DFT/3-1-17/POSCAR
examples/SrCuOx/DFT/3-1-17/vasprun.xml
examples/SrCuOx/DFT/3-1-2/POSCAR
examples/SrCuOx/DFT/3-1-2/vasprun.xml
examples/SrCuOx/DFT/3-1-3/POSCAR
examples/SrCuOx/DFT/3-1-3/vasprun.xml
examples/SrCuOx/DFT/3-1-4/POSCAR
examples/SrCuOx/DFT/3-1-4/vasprun.xml
examples/SrCuOx/DFT/3-1-5/POSCAR
examples/SrCuOx/DFT/3-1-5/vasprun.xml
examples/SrCuOx/DFT/3-1-6/POSCAR
examples/SrCuOx/DFT/3-1-6/vasprun.xml
examples/SrCuOx/DFT/3-1-7/POSCAR
examples/SrCuOx/DFT/3-1-7/vasprun.xml
examples/SrCuOx/DFT/3-1-8/POSCAR
examples/SrCuOx/DFT/3-1-8/vasprun.xml
examples/SrCuOx/DFT/3-1-9/POSCAR
examples/SrCuOx/DFT/3-1-9/vasprun.xml
examples/SrCuOx/DFT/3-2-0/POSCAR
examples/SrCuOx/DFT/3-2-0/vasprun.xml
examples/SrCuOx/DFT/3-2-1/POSCAR
examples/SrCuOx/DFT/3-2-1/vasprun.xml
examples/SrCuOx/DFT/3-2-2/POSCAR
examples/SrCuOx/DFT/3-2-2/vasprun.xml
examples/SrCuOx/DFT/3-2-3/POSCAR
examples/SrCuOx/DFT/3-2-3/vasprun.xml
examples/SrCuOx/DFT/3-2-4/POSCAR
examples/SrCuOx/DFT/3-2-4/vasprun.xml
examples/SrCuOx/DFT/3-2-5/POSCAR
examples/SrCuOx/DFT/3-2-5/vasprun.xml
examples/SrCuOx/DFT/3-2-6/POSCAR
examples/SrCuOx/DFT/3-2-6/vasprun.xml
examples/SrCuOx/DFT/3-2-7/POSCAR
examples/SrCuOx/DFT/3-2-7/vasprun.xml
examples/SrCuOx/DFT/3-2-8/POSCAR
examples/SrCuOx/DFT/3-2-8/vasprun.xml
examples/SrCuOx/DFT/4-0-0/POSCAR
examples/SrCuOx/DFT/4-0-0/vasprun.xml
examples/SrCuOx/DFT/4-0-1/POSCAR
examples/SrCuOx/DFT/4-0-1/vasprun.xml
examples/SrCuOx/DFT/4-0-10/POSCAR
examples/SrCuOx/DFT/4-0-10/vasprun.xml
examples/SrCuOx/DFT/4-0-11/POSCAR
examples/SrCuOx/DFT/4-0-11/vasprun.xml
examples/SrCuOx/DFT/4-0-12/POSCAR
examples/SrCuOx/DFT/4-0-12/vasprun.xml
examples/SrCuOx/DFT/4-0-13/POSCAR
examples/SrCuOx/DFT/4-0-13/vasprun.xml
examples/SrCuOx/DFT/4-0-14/POSCAR
examples/SrCuOx/DFT/4-0-14/vasprun.xml
examples/SrCuOx/DFT/4-0-15/POSCAR
examples/SrCuOx/DFT/4-0-15/vasprun.xml
examples/SrCuOx/DFT/4-0-16/POSCAR
examples/SrCuOx/DFT/4-0-16/vasprun.xml
examples/SrCuOx/DFT/4-0-17/POSCAR
examples/SrCuOx/DFT/4-0-17/vasprun.xml
examples/SrCuOx/DFT/4-0-18/POSCAR
examples/SrCuOx/DFT/4-0-18/vasprun.xml
examples/SrCuOx/DFT/4-0-19/POSCAR
examples/SrCuOx/DFT/4-0-19/vasprun.xml
examples/SrCuOx/DFT/4-0-2/POSCAR
examples/SrCuOx/DFT/4-0-2/vasprun.xml
examples/SrCuOx/DFT/4-0-20/POSCAR
examples/SrCuOx/DFT/4-0-20/vasprun.xml
examples/SrCuOx/DFT/4-0-21/POSCAR
examples/SrCuOx/DFT/4-0-21/vasprun.xml
examples/SrCuOx/DFT/4-0-22/POSCAR
examples/SrCuOx/DFT/4-0-22/vasprun.xml
examples/SrCuOx/DFT/4-0-23/POSCAR
examples/SrCuOx/DFT/4-0-23/vasprun.xml
examples/SrCuOx/DFT/4-0-24/POSCAR
examples/SrCuOx/DFT/4-0-24/vasprun.xml
examples/SrCuOx/DFT/4-0-25/POSCAR
examples/SrCuOx/DFT/4-0-25/vasprun.xml
examples/SrCuOx/DFT/4-0-26/POSCAR
examples/SrCuOx/DFT/4-0-26/vasprun.xml
examples/SrCuOx/DFT/4-0-27/POSCAR
examples/SrCuOx/DFT/4-0-27/vasprun.xml
examples/SrCuOx/DFT/4-0-28/POSCAR
examples/SrCuOx/DFT/4-0-28/vasprun.xml
examples/SrCuOx/DFT/4-0-29/POSCAR
examples/SrCuOx/DFT/4-0-29/vasprun.xml
examples/SrCuOx/DFT/4-0-3/POSCAR
examples/SrCuOx/DFT/4-0-3/vasprun.xml
examples/SrCuOx/DFT/4-0-30/POSCAR
examples/SrCuOx/DFT/4-0-30/vasprun.xml
examples/SrCuOx/DFT/4-0-31/POSCAR
examples/SrCuOx/DFT/4-0-31/vasprun.xml
examples/SrCuOx/DFT/4-0-32/POSCAR
examples/SrCuOx/DFT/4-0-32/vasprun.xml
examples/SrCuOx/DFT/4-0-33/POSCAR
examples/SrCuOx/DFT/4-0-33/vasprun.xml
examples/SrCuOx/DFT/4-0-34/POSCAR
examples/SrCuOx/DFT/4-0-34/vasprun.xml
examples/SrCuOx/DFT/4-0-35/POSCAR
examples/SrCuOx/DFT/4-0-35/vasprun.xml
examples/SrCuOx/DFT/4-0-36/POSCAR
examples/SrCuOx/DFT/4-0-36/vasprun.xml
examples/SrCuOx/DFT/4-0-37/POSCAR
examples/SrCuOx/DFT/4-0-37/vasprun.xml
examples/SrCuOx/DFT/4-0-38/POSCAR
examples/SrCuOx/DFT/4-0-38/vasprun.xml
examples/SrCuOx/DFT/4-0-39/POSCAR
examples/SrCuOx/DFT/4-0-39/vasprun.xml
examples/SrCuOx/DFT/4-0-4/POSCAR
examples/SrCuOx/DFT/4-0-4/vasprun.xml
examples/SrCuOx/DFT/4-0-40/POSCAR
examples/SrCuOx/DFT/4-0-40/vasprun.xml
examples/SrCuOx/DFT/4-0-41/POSCAR
examples/SrCuOx/DFT/4-0-41/vasprun.xml
examples/SrCuOx/DFT/4-0-42/POSCAR
examples/SrCuOx/DFT/4-0-42/vasprun.xml
examples/SrCuOx/DFT/4-0-43/POSCAR
examples/SrCuOx/DFT/4-0-43/vasprun.xml
examples/SrCuOx/DFT/4-0-44/POSCAR
examples/SrCuOx/DFT/4-0-44/vasprun.xml
examples/SrCuOx/DFT/4-0-45/POSCAR
examples/SrCuOx/DFT/4-0-45/vasprun.xml
examples/SrCuOx/DFT/4-0-46/POSCAR
examples/SrCuOx/DFT/4-0-46/vasprun.xml
examples/SrCuOx/DFT/4-0-47/POSCAR
examples/SrCuOx/DFT/4-0-47/vasprun.xml
examples/SrCuOx/DFT/4-0-48/POSCAR
examples/SrCuOx/DFT/4-0-48/vasprun.xml
examples/SrCuOx/DFT/4-0-49/POSCAR
examples/SrCuOx/DFT/4-0-49/vasprun.xml
examples/SrCuOx/DFT/4-0-5/POSCAR
examples/SrCuOx/DFT/4-0-5/vasprun.xml
examples/SrCuOx/DFT/4-0-50/POSCAR
examples/SrCuOx/DFT/4-0-50/vasprun.xml
examples/SrCuOx/DFT/4-0-51/POSCAR
examples/SrCuOx/DFT/4-0-51/vasprun.xml
examples/SrCuOx/DFT/4-0-52/POSCAR
examples/SrCuOx/DFT/4-0-52/vasprun.xml
examples/SrCuOx/DFT/4-0-53/POSCAR
examples/SrCuOx/DFT/4-0-53/vasprun.xml
examples/SrCuOx/DFT/4-0-54/POSCAR
examples/SrCuOx/DFT/4-0-54/vasprun.xml
examples/SrCuOx/DFT/4-0-55/POSCAR
examples/SrCuOx/DFT/4-0-55/vasprun.xml
examples/SrCuOx/DFT/4-0-56/POSCAR
examples/SrCuOx/DFT/4-0-56/vasprun.xml
examples/SrCuOx/DFT/4-0-57/POSCAR
examples/SrCuOx/DFT/4-0-57/vasprun.xml
examples/SrCuOx/DFT/4-0-58/POSCAR
examples/SrCuOx/DFT/4-0-58/vasprun.xml
examples/SrCuOx/DFT/4-0-59/POSCAR
examples/SrCuOx/DFT/4-0-59/vasprun.xml
examples/SrCuOx/DFT/4-0-6/POSCAR
examples/SrCuOx/DFT/4-0-6/vasprun.xml
examples/SrCuOx/DFT/4-0-60/POSCAR
examples/SrCuOx/DFT/4-0-60/vasprun.xml
examples/SrCuOx/DFT/4-0-61/POSCAR
examples/SrCuOx/DFT/4-0-61/vasprun.xml
examples/SrCuOx/DFT/4-0-62/POSCAR
examples/SrCuOx/DFT/4-0-62/vasprun.xml
examples/SrCuOx/DFT/4-0-63/POSCAR
examples/SrCuOx/DFT/4-0-63/vasprun.xml
examples/SrCuOx/DFT/4-0-64/POSCAR
examples/SrCuOx/DFT/4-0-64/vasprun.xml
examples/SrCuOx/DFT/4-0-65/POSCAR
examples/SrCuOx/DFT/4-0-65/vasprun.xml
examples/SrCuOx/DFT/4-0-66/POSCAR
examples/SrCuOx/DFT/4-0-66/vasprun.xml
examples/SrCuOx/DFT/4-0-67/POSCAR
examples/SrCuOx/DFT/4-0-67/vasprun.xml
examples/SrCuOx/DFT/4-0-68/POSCAR
examples/SrCuOx/DFT/4-0-68/vasprun.xml
examples/SrCuOx/DFT/4-0-7/POSCAR
examples/SrCuOx/DFT/4-0-7/vasprun.xml
examples/SrCuOx/DFT/4-0-8/POSCAR
examples/SrCuOx/DFT/4-0-8/vasprun.xml
examples/SrCuOx/DFT/4-0-9/POSCAR
examples/SrCuOx/DFT/4-0-9/vasprun.xml
examples/SrCuOx/DFT/4-1-0/POSCAR
examples/SrCuOx/DFT/4-1-0/vasprun.xml
examples/SrCuOx/DFT/4-1-1/POSCAR
examples/SrCuOx/DFT/4-1-1/vasprun.xml
examples/SrCuOx/DFT/4-1-10/POSCAR
examples/SrCuOx/DFT/4-1-10/vasprun.xml
examples/SrCuOx/DFT/4-1-11/POSCAR
examples/SrCuOx/DFT/4-1-11/vasprun.xml
examples/SrCuOx/DFT/4-1-12/POSCAR
examples/SrCuOx/DFT/4-1-12/vasprun.xml
examples/SrCuOx/DFT/4-1-13/POSCAR
examples/SrCuOx/DFT/4-1-13/vasprun.xml
examples/SrCuOx/DFT/4-1-14/POSCAR
examples/SrCuOx/DFT/4-1-14/vasprun.xml
examples/SrCuOx/DFT/4-1-15/POSCAR
examples/SrCuOx/DFT/4-1-15/vasprun.xml
examples/SrCuOx/DFT/4-1-16/POSCAR
examples/SrCuOx/DFT/4-1-16/vasprun.xml
examples/SrCuOx/DFT/4-1-17/POSCAR
examples/SrCuOx/DFT/4-1-17/vasprun.xml
examples/SrCuOx/DFT/4-1-18/POSCAR
examples/SrCuOx/DFT/4-1-18/vasprun.xml
examples/SrCuOx/DFT/4-1-19/POSCAR
examples/SrCuOx/DFT/4-1-19/vasprun.xml
examples/SrCuOx/DFT/4-1-2/POSCAR
examples/SrCuOx/DFT/4-1-2/vasprun.xml
examples/SrCuOx/DFT/4-1-20/POSCAR
examples/SrCuOx/DFT/4-1-20/vasprun.xml
examples/SrCuOx/DFT/4-1-21/POSCAR
examples/SrCuOx/DFT/4-1-21/vasprun.xml
examples/SrCuOx/DFT/4-1-22/POSCAR
examples/SrCuOx/DFT/4-1-22/vasprun.xml
examples/SrCuOx/DFT/4-1-23/POSCAR
examples/SrCuOx/DFT/4-1-23/vasprun.xml
examples/SrCuOx/DFT/4-1-24/POSCAR
examples/SrCuOx/DFT/4-1-24/vasprun.xml
examples/SrCuOx/DFT/4-1-25/POSCAR
examples/SrCuOx/DFT/4-1-25/vasprun.xml
examples/SrCuOx/DFT/4-1-26/POSCAR
examples/SrCuOx/DFT/4-1-26/vasprun.xml
examples/SrCuOx/DFT/4-1-27/POSCAR
examples/SrCuOx/DFT/4-1-27/vasprun.xml
examples/SrCuOx/DFT/4-1-28/POSCAR
examples/SrCuOx/DFT/4-1-28/vasprun.xml
examples/SrCuOx/DFT/4-1-29/POSCAR
examples/SrCuOx/DFT/4-1-29/vasprun.xml
examples/SrCuOx/DFT/4-1-3/POSCAR
examples/SrCuOx/DFT/4-1-3/vasprun.xml
examples/SrCuOx/DFT/4-1-30/POSCAR
examples/SrCuOx/DFT/4-1-30/vasprun.xml
examples/SrCuOx/DFT/4-1-31/POSCAR
examples/SrCuOx/DFT/4-1-31/vasprun.xml
examples/SrCuOx/DFT/4-1-32/POSCAR
examples/SrCuOx/DFT/4-1-32/vasprun.xml
examples/SrCuOx/DFT/4-1-33/POSCAR
examples/SrCuOx/DFT/4-1-33/vasprun.xml
examples/SrCuOx/DFT/4-1-34/POSCAR
examples/SrCuOx/DFT/4-1-34/vasprun.xml
examples/SrCuOx/DFT/4-1-35/POSCAR
examples/SrCuOx/DFT/4-1-35/vasprun.xml
examples/SrCuOx/DFT/4-1-36/POSCAR
examples/SrCuOx/DFT/4-1-36/vasprun.xml
examples/SrCuOx/DFT/4-1-37/POSCAR
examples/SrCuOx/DFT/4-1-37/vasprun.xml
examples/SrCuOx/DFT/4-1-38/POSCAR
examples/SrCuOx/DFT/4-1-38/vasprun.xml
examples/SrCuOx/DFT/4-1-39/POSCAR
examples/SrCuOx/DFT/4-1-39/vasprun.xml
examples/SrCuOx/DFT/4-1-4/POSCAR
examples/SrCuOx/DFT/4-1-4/vasprun.xml
examples/SrCuOx/DFT/4-1-40/POSCAR
examples/SrCuOx/DFT/4-1-40/vasprun.xml
examples/SrCuOx/DFT/4-1-41/POSCAR
examples/SrCuOx/DFT/4-1-41/vasprun.xml
examples/SrCuOx/DFT/4-1-42/POSCAR
examples/SrCuOx/DFT/4-1-42/vasprun.xml
examples/SrCuOx/DFT/4-1-43/POSCAR
examples/SrCuOx/DFT/4-1-43/vasprun.xml
examples/SrCuOx/DFT/4-1-44/POSCAR
examples/SrCuOx/DFT/4-1-44/vasprun.xml
examples/SrCuOx/DFT/4-1-45/POSCAR
examples/SrCuOx/DFT/4-1-45/vasprun.xml
examples/SrCuOx/DFT/4-1-46/POSCAR
examples/SrCuOx/DFT/4-1-46/vasprun.xml
examples/SrCuOx/DFT/4-1-47/POSCAR
examples/SrCuOx/DFT/4-1-47/vasprun.xml
examples/SrCuOx/DFT/4-1-48/POSCAR
examples/SrCuOx/DFT/4-1-48/vasprun.xml
examples/SrCuOx/DFT/4-1-49/POSCAR
examples/SrCuOx/DFT/4-1-49/vasprun.xml
examples/SrCuOx/DFT/4-1-5/POSCAR
examples/SrCuOx/DFT/4-1-5/vasprun.xml
examples/SrCuOx/DFT/4-1-50/POSCAR
examples/SrCuOx/DFT/4-1-50/vasprun.xml
examples/SrCuOx/DFT/4-1-51/POSCAR
examples/SrCuOx/DFT/4-1-51/vasprun.xml
examples/SrCuOx/DFT/4-1-52/POSCAR
examples/SrCuOx/DFT/4-1-52/vasprun.xml
examples/SrCuOx/DFT/4-1-53/POSCAR
examples/SrCuOx/DFT/4-1-53/vasprun.xml
examples/SrCuOx/DFT/4-1-54/POSCAR
examples/SrCuOx/DFT/4-1-54/vasprun.xml
examples/SrCuOx/DFT/4-1-55/POSCAR
examples/SrCuOx/DFT/4-1-55/vasprun.xml
examples/SrCuOx/DFT/4-1-56/POSCAR
examples/SrCuOx/DFT/4-1-56/vasprun.xml
examples/SrCuOx/DFT/4-1-57/POSCAR
examples/SrCuOx/DFT/4-1-57/vasprun.xml
examples/SrCuOx/DFT/4-1-58/POSCAR
examples/SrCuOx/DFT/4-1-58/vasprun.xml
examples/SrCuOx/DFT/4-1-59/POSCAR
examples/SrCuOx/DFT/4-1-59/vasprun.xml
examples/SrCuOx/DFT/4-1-6/POSCAR
examples/SrCuOx/DFT/4-1-6/vasprun.xml
examples/SrCuOx/DFT/4-1-60/POSCAR
examples/SrCuOx/DFT/4-1-60/vasprun.xml
examples/SrCuOx/DFT/4-1-61/POSCAR
examples/SrCuOx/DFT/4-1-61/vasprun.xml
examples/SrCuOx/DFT/4-1-62/POSCAR
examples/SrCuOx/DFT/4-1-62/vasprun.xml
examples/SrCuOx/DFT/4-1-63/POSCAR
examples/SrCuOx/DFT/4-1-63/vasprun.xml
examples/SrCuOx/DFT/4-1-64/POSCAR
examples/SrCuOx/DFT/4-1-64/vasprun.xml
examples/SrCuOx/DFT/4-1-65/POSCAR
examples/SrCuOx/DFT/4-1-65/vasprun.xml
examples/SrCuOx/DFT/4-1-66/POSCAR
examples/SrCuOx/DFT/4-1-66/vasprun.xml
examples/SrCuOx/DFT/4-1-67/POSCAR
examples/SrCuOx/DFT/4-1-67/vasprun.xml
examples/SrCuOx/DFT/4-1-68/POSCAR
examples/SrCuOx/DFT/4-1-68/vasprun.xml
examples/SrCuOx/DFT/4-1-7/POSCAR
examples/SrCuOx/DFT/4-1-7/vasprun.xml
examples/SrCuOx/DFT/4-1-8/POSCAR
examples/SrCuOx/DFT/4-1-8/vasprun.xml
examples/SrCuOx/DFT/4-1-9/POSCAR
examples/SrCuOx/DFT/4-1-9/vasprun.xml
examples/SrCuOx/DFT/4-2-0/POSCAR
examples/SrCuOx/DFT/4-2-0/vasprun.xml
examples/SrCuOx/DFT/4-2-1/POSCAR
examples/SrCuOx/DFT/4-2-1/vasprun.xml
examples/SrCuOx/DFT/4-2-10/POSCAR
examples/SrCuOx/DFT/4-2-10/vasprun.xml
examples/SrCuOx/DFT/4-2-11/POSCAR
examples/SrCuOx/DFT/4-2-11/vasprun.xml
examples/SrCuOx/DFT/4-2-12/POSCAR
examples/SrCuOx/DFT/4-2-12/vasprun.xml
examples/SrCuOx/DFT/4-2-13/POSCAR
examples/SrCuOx/DFT/4-2-13/vasprun.xml
examples/SrCuOx/DFT/4-2-14/POSCAR
examples/SrCuOx/DFT/4-2-14/vasprun.xml
examples/SrCuOx/DFT/4-2-15/POSCAR
examples/SrCuOx/DFT/4-2-15/vasprun.xml
examples/SrCuOx/DFT/4-2-16/POSCAR
examples/SrCuOx/DFT/4-2-16/vasprun.xml
examples/SrCuOx/DFT/4-2-17/POSCAR
examples/SrCuOx/DFT/4-2-17/vasprun.xml
examples/SrCuOx/DFT/4-2-18/POSCAR
examples/SrCuOx/DFT/4-2-18/vasprun.xml
examples/SrCuOx/DFT/4-2-19/POSCAR
examples/SrCuOx/DFT/4-2-19/vasprun.xml
examples/SrCuOx/DFT/4-2-2/POSCAR
examples/SrCuOx/DFT/4-2-2/vasprun.xml
examples/SrCuOx/DFT/4-2-20/POSCAR
examples/SrCuOx/DFT/4-2-20/vasprun.xml
examples/SrCuOx/DFT/4-2-21/POSCAR
examples/SrCuOx/DFT/4-2-21/vasprun.xml
examples/SrCuOx/DFT/4-2-22/POSCAR
examples/SrCuOx/DFT/4-2-22/vasprun.xml
examples/SrCuOx/DFT/4-2-23/POSCAR
examples/SrCuOx/DFT/4-2-23/vasprun.xml
examples/SrCuOx/DFT/4-2-24/POSCAR
examples/SrCuOx/DFT/4-2-24/vasprun.xml
examples/SrCuOx/DFT/4-2-25/POSCAR
examples/SrCuOx/DFT/4-2-25/vasprun.xml
examples/SrCuOx/DFT/4-2-26/POSCAR
examples/SrCuOx/DFT/4-2-26/vasprun.xml
examples/SrCuOx/DFT/4-2-27/POSCAR
examples/SrCuOx/DFT/4-2-27/vasprun.xml
examples/SrCuOx/DFT/4-2-28/POSCAR
examples/SrCuOx/DFT/4-2-28/vasprun.xml
examples/SrCuOx/DFT/4-2-29/POSCAR
examples/SrCuOx/DFT/4-2-29/vasprun.xml
examples/SrCuOx/DFT/4-2-3/POSCAR
examples/SrCuOx/DFT/4-2-3/vasprun.xml
examples/SrCuOx/DFT/4-2-30/POSCAR
examples/SrCuOx/DFT/4-2-30/vasprun.xml
examples/SrCuOx/DFT/4-2-31/POSCAR
examples/SrCuOx/DFT/4-2-31/vasprun.xml
examples/SrCuOx/DFT/4-2-32/POSCAR
examples/SrCuOx/DFT/4-2-32/vasprun.xml
examples/SrCuOx/DFT/4-2-33/POSCAR
examples/SrCuOx/DFT/4-2-33/vasprun.xml
examples/SrCuOx/DFT/4-2-34/POSCAR
examples/SrCuOx/DFT/4-2-34/vasprun.xml
examples/SrCuOx/DFT/4-2-35/POSCAR
examples/SrCuOx/DFT/4-2-35/vasprun.xml
examples/SrCuOx/DFT/4-2-36/POSCAR
examples/SrCuOx/DFT/4-2-36/vasprun.xml
examples/SrCuOx/DFT/4-2-37/POSCAR
examples/SrCuOx/DFT/4-2-37/vasprun.xml
examples/SrCuOx/DFT/4-2-38/POSCAR
examples/SrCuOx/DFT/4-2-38/vasprun.xml
examples/SrCuOx/DFT/4-2-39/POSCAR
examples/SrCuOx/DFT/4-2-39/vasprun.xml
examples/SrCuOx/DFT/4-2-4/POSCAR
examples/SrCuOx/DFT/4-2-4/vasprun.xml
examples/SrCuOx/DFT/4-2-40/POSCAR
examples/SrCuOx/DFT/4-2-40/vasprun.xml
examples/SrCuOx/DFT/4-2-41/POSCAR
examples/SrCuOx/DFT/4-2-41/vasprun.xml
examples/SrCuOx/DFT/4-2-42/POSCAR
examples/SrCuOx/DFT/4-2-42/vasprun.xml
examples/SrCuOx/DFT/4-2-43/POSCAR
examples/SrCuOx/DFT/4-2-43/vasprun.xml
examples/SrCuOx/DFT/4-2-44/POSCAR
examples/SrCuOx/DFT/4-2-44/vasprun.xml
examples/SrCuOx/DFT/4-2-45/POSCAR
examples/SrCuOx/DFT/4-2-45/vasprun.xml
examples/SrCuOx/DFT/4-2-46/POSCAR
examples/SrCuOx/DFT/4-2-46/vasprun.xml
examples/SrCuOx/DFT/4-2-47/POSCAR
examples/SrCuOx/DFT/4-2-47/vasprun.xml
examples/SrCuOx/DFT/4-2-48/POSCAR
examples/SrCuOx/DFT/4-2-48/vasprun.xml
examples/SrCuOx/DFT/4-2-49/POSCAR
examples/SrCuOx/DFT/4-2-49/vasprun.xml
examples/SrCuOx/DFT/4-2-5/POSCAR
examples/SrCuOx/DFT/4-2-5/vasprun.xml
examples/SrCuOx/DFT/4-2-50/POSCAR
examples/SrCuOx/DFT/4-2-50/vasprun.xml
examples/SrCuOx/DFT/4-2-51/POSCAR
examples/SrCuOx/DFT/4-2-51/vasprun.xml
examples/SrCuOx/DFT/4-2-52/POSCAR
examples/SrCuOx/DFT/4-2-52/vasprun.xml
examples/SrCuOx/DFT/4-2-53/POSCAR
examples/SrCuOx/DFT/4-2-53/vasprun.xml
examples/SrCuOx/DFT/4-2-54/POSCAR
examples/SrCuOx/DFT/4-2-54/vasprun.xml
examples/SrCuOx/DFT/4-2-55/POSCAR
examples/SrCuOx/DFT/4-2-55/vasprun.xml
examples/SrCuOx/DFT/4-2-56/POSCAR
examples/SrCuOx/DFT/4-2-56/vasprun.xml
examples/SrCuOx/DFT/4-2-57/POSCAR
examples/SrCuOx/DFT/4-2-57/vasprun.xml
examples/SrCuOx/DFT/4-2-58/POSCAR
examples/SrCuOx/DFT/4-2-58/vasprun.xml
examples/SrCuOx/DFT/4-2-59/POSCAR
examples/SrCuOx/DFT/4-2-59/vasprun.xml
examples/SrCuOx/DFT/4-2-6/POSCAR
examples/SrCuOx/DFT/4-2-6/vasprun.xml
examples/SrCuOx/DFT/4-2-60/POSCAR
examples/SrCuOx/DFT/4-2-60/vasprun.xml
examples/SrCuOx/DFT/4-2-61/POSCAR
examples/SrCuOx/DFT/4-2-61/vasprun.xml
examples/SrCuOx/DFT/4-2-62/POSCAR
examples/SrCuOx/DFT/4-2-62/vasprun.xml
examples/SrCuOx/DFT/4-2-63/POSCAR
examples/SrCuOx/DFT/4-2-63/vasprun.xml
examples/SrCuOx/DFT/4-2-64/POSCAR
examples/SrCuOx/DFT/4-2-64/vasprun.xml
examples/SrCuOx/DFT/4-2-65/POSCAR
examples/SrCuOx/DFT/4-2-65/vasprun.xml
examples/SrCuOx/DFT/4-2-66/POSCAR
examples/SrCuOx/DFT/4-2-66/vasprun.xml
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examples/SrCuOx/DFT/4-4-0/POSCAR
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examples/SrCuOx/DFT/4-4-1/POSCAR
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examples/SrCuOx/DFT/4-4-10/POSCAR
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examples/SrCuOx/DFT/4-4-13/POSCAR
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examples/SrCuOx/DFT/4-4-16/POSCAR
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examples/SrCuOx/DFT/4-4-21/vasprun.xml
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examples/SrCuOx/DFT/4-4-24/POSCAR
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examples/SrCuOx/DFT/4-4-26/POSCAR
examples/SrCuOx/DFT/4-4-26/vasprun.xml
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examples/SrCuOx/DFT/4-4-28/POSCAR
examples/SrCuOx/DFT/4-4-28/vasprun.xml
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examples/SrCuOx/DFT/4-4-3/POSCAR
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examples/SrCuOx/DFT/4-4-30/POSCAR
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examples/SrCuOx/DFT/4-4-31/POSCAR
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examples/SrCuOx/DFT/4-4-38/vasprun.xml
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examples/SrCuOx/DFT/4-4-39/vasprun.xml
examples/SrCuOx/DFT/4-4-4/POSCAR
examples/SrCuOx/DFT/4-4-4/vasprun.xml
examples/SrCuOx/DFT/4-4-40/POSCAR
examples/SrCuOx/DFT/4-4-40/vasprun.xml
examples/SrCuOx/DFT/4-4-41/POSCAR
examples/SrCuOx/DFT/4-4-41/vasprun.xml
examples/SrCuOx/DFT/4-4-42/POSCAR
examples/SrCuOx/DFT/4-4-42/vasprun.xml
examples/SrCuOx/DFT/4-4-43/POSCAR
examples/SrCuOx/DFT/4-4-43/vasprun.xml
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examples/SrCuOx/DFT/4-4-44/vasprun.xml
examples/SrCuOx/DFT/4-4-45/POSCAR
examples/SrCuOx/DFT/4-4-45/vasprun.xml
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examples/SrCuOx/DFT/4-4-47/POSCAR
examples/SrCuOx/DFT/4-4-47/vasprun.xml
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examples/SrCuOx/DFT/4-4-50/POSCAR
examples/SrCuOx/DFT/4-4-50/vasprun.xml
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examples/SrCuOx/DFT/4-4-9/vasprun.xml
examples/SrCuOx/DFT/4-5-0/POSCAR
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examples/SrCuOx/DFT/4-5-10/POSCAR
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examples/SrCuOx/DFT/4-5-40/POSCAR
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examples/SrCuOx/DFT/4-5-9/POSCAR
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examples/SrCuOx/DFT/4-6-0/POSCAR
examples/SrCuOx/DFT/4-6-0/vasprun.xml
examples/SrCuOx/DFT/4-6-1/POSCAR
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examples/SrCuOx/DFT/4-6-12/vasprun.xml
examples/SrCuOx/DFT/4-6-13/POSCAR
examples/SrCuOx/DFT/4-6-13/vasprun.xml
examples/SrCuOx/DFT/4-6-14/POSCAR
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examples/SrCuOx/DFT/4-6-16/POSCAR
examples/SrCuOx/DFT/4-6-16/vasprun.xml
examples/SrCuOx/DFT/4-6-17/POSCAR
examples/SrCuOx/DFT/4-6-17/vasprun.xml
examples/SrCuOx/DFT/4-6-18/POSCAR
examples/SrCuOx/DFT/4-6-18/vasprun.xml
examples/SrCuOx/DFT/4-6-19/POSCAR
examples/SrCuOx/DFT/4-6-19/vasprun.xml
examples/SrCuOx/DFT/4-6-2/POSCAR
examples/SrCuOx/DFT/4-6-2/vasprun.xml
examples/SrCuOx/DFT/4-6-20/POSCAR
examples/SrCuOx/DFT/4-6-20/vasprun.xml
examples/SrCuOx/DFT/4-6-21/POSCAR
examples/SrCuOx/DFT/4-6-21/vasprun.xml
examples/SrCuOx/DFT/4-6-22/POSCAR
examples/SrCuOx/DFT/4-6-22/vasprun.xml
examples/SrCuOx/DFT/4-6-23/POSCAR
examples/SrCuOx/DFT/4-6-23/vasprun.xml
examples/SrCuOx/DFT/4-6-24/POSCAR
examples/SrCuOx/DFT/4-6-24/vasprun.xml
examples/SrCuOx/DFT/4-6-25/POSCAR
examples/SrCuOx/DFT/4-6-25/vasprun.xml
examples/SrCuOx/DFT/4-6-26/POSCAR
examples/SrCuOx/DFT/4-6-26/vasprun.xml
examples/SrCuOx/DFT/4-6-27/POSCAR
examples/SrCuOx/DFT/4-6-27/vasprun.xml
examples/SrCuOx/DFT/4-6-28/POSCAR
examples/SrCuOx/DFT/4-6-28/vasprun.xml
examples/SrCuOx/DFT/4-6-29/POSCAR
examples/SrCuOx/DFT/4-6-29/vasprun.xml
examples/SrCuOx/DFT/4-6-3/POSCAR
examples/SrCuOx/DFT/4-6-3/vasprun.xml
examples/SrCuOx/DFT/4-6-30/POSCAR
examples/SrCuOx/DFT/4-6-30/vasprun.xml
examples/SrCuOx/DFT/4-6-31/POSCAR
examples/SrCuOx/DFT/4-6-31/vasprun.xml
examples/SrCuOx/DFT/4-6-32/POSCAR
examples/SrCuOx/DFT/4-6-32/vasprun.xml
examples/SrCuOx/DFT/4-6-33/POSCAR
examples/SrCuOx/DFT/4-6-33/vasprun.xml
examples/SrCuOx/DFT/4-6-34/POSCAR
examples/SrCuOx/DFT/4-6-34/vasprun.xml
examples/SrCuOx/DFT/4-6-35/POSCAR
examples/SrCuOx/DFT/4-6-35/vasprun.xml
examples/SrCuOx/DFT/4-6-36/POSCAR
examples/SrCuOx/DFT/4-6-36/vasprun.xml
examples/SrCuOx/DFT/4-6-37/POSCAR
examples/SrCuOx/DFT/4-6-37/vasprun.xml
examples/SrCuOx/DFT/4-6-38/POSCAR
examples/SrCuOx/DFT/4-6-38/vasprun.xml
examples/SrCuOx/DFT/4-6-39/POSCAR
examples/SrCuOx/DFT/4-6-39/vasprun.xml
examples/SrCuOx/DFT/4-6-4/POSCAR
examples/SrCuOx/DFT/4-6-4/vasprun.xml
examples/SrCuOx/DFT/4-6-40/POSCAR
examples/SrCuOx/DFT/4-6-40/vasprun.xml
examples/SrCuOx/DFT/4-6-41/POSCAR
examples/SrCuOx/DFT/4-6-41/vasprun.xml
examples/SrCuOx/DFT/4-6-42/POSCAR
examples/SrCuOx/DFT/4-6-42/vasprun.xml
examples/SrCuOx/DFT/4-6-43/POSCAR
examples/SrCuOx/DFT/4-6-43/vasprun.xml
examples/SrCuOx/DFT/4-6-44/POSCAR
examples/SrCuOx/DFT/4-6-44/vasprun.xml
examples/SrCuOx/DFT/4-6-45/POSCAR
examples/SrCuOx/DFT/4-6-45/vasprun.xml
examples/SrCuOx/DFT/4-6-46/POSCAR
examples/SrCuOx/DFT/4-6-46/vasprun.xml
examples/SrCuOx/DFT/4-6-47/POSCAR
examples/SrCuOx/DFT/4-6-47/vasprun.xml
examples/SrCuOx/DFT/4-6-5/POSCAR
examples/SrCuOx/DFT/4-6-5/vasprun.xml
examples/SrCuOx/DFT/4-6-6/POSCAR
examples/SrCuOx/DFT/4-6-6/vasprun.xml
examples/SrCuOx/DFT/4-6-7/POSCAR
examples/SrCuOx/DFT/4-6-7/vasprun.xml
examples/SrCuOx/DFT/4-6-8/POSCAR
examples/SrCuOx/DFT/4-6-8/vasprun.xml
examples/SrCuOx/DFT/4-6-9/POSCAR
examples/SrCuOx/DFT/4-6-9/vasprun.xml
examples/SrCuOx/DFT/4-7-0/POSCAR
examples/SrCuOx/DFT/4-7-0/vasprun.xml
examples/SrCuOx/DFT/4-7-1/POSCAR
examples/SrCuOx/DFT/4-7-1/vasprun.xml
examples/SrCuOx/DFT/4-7-10/POSCAR
examples/SrCuOx/DFT/4-7-10/vasprun.xml
examples/SrCuOx/DFT/4-7-11/POSCAR
examples/SrCuOx/DFT/4-7-11/vasprun.xml
examples/SrCuOx/DFT/4-7-12/POSCAR
examples/SrCuOx/DFT/4-7-12/vasprun.xml
examples/SrCuOx/DFT/4-7-13/POSCAR
examples/SrCuOx/DFT/4-7-13/vasprun.xml
examples/SrCuOx/DFT/4-7-14/POSCAR
examples/SrCuOx/DFT/4-7-14/vasprun.xml
examples/SrCuOx/DFT/4-7-15/POSCAR
examples/SrCuOx/DFT/4-7-15/vasprun.xml
examples/SrCuOx/DFT/4-7-16/POSCAR
examples/SrCuOx/DFT/4-7-16/vasprun.xml
examples/SrCuOx/DFT/4-7-17/POSCAR
examples/SrCuOx/DFT/4-7-17/vasprun.xml
examples/SrCuOx/DFT/4-7-18/POSCAR
examples/SrCuOx/DFT/4-7-18/vasprun.xml
examples/SrCuOx/DFT/4-7-19/POSCAR
examples/SrCuOx/DFT/4-7-19/vasprun.xml
examples/SrCuOx/DFT/4-7-2/POSCAR
examples/SrCuOx/DFT/4-7-2/vasprun.xml
examples/SrCuOx/DFT/4-7-20/POSCAR
examples/SrCuOx/DFT/4-7-20/vasprun.xml
examples/SrCuOx/DFT/4-7-21/POSCAR
examples/SrCuOx/DFT/4-7-21/vasprun.xml
examples/SrCuOx/DFT/4-7-22/POSCAR
examples/SrCuOx/DFT/4-7-22/vasprun.xml
examples/SrCuOx/DFT/4-7-23/POSCAR
examples/SrCuOx/DFT/4-7-23/vasprun.xml
examples/SrCuOx/DFT/4-7-24/POSCAR
examples/SrCuOx/DFT/4-7-24/vasprun.xml
examples/SrCuOx/DFT/4-7-25/POSCAR
examples/SrCuOx/DFT/4-7-25/vasprun.xml
examples/SrCuOx/DFT/4-7-26/POSCAR
examples/SrCuOx/DFT/4-7-26/vasprun.xml
examples/SrCuOx/DFT/4-7-27/POSCAR
examples/SrCuOx/DFT/4-7-27/vasprun.xml
examples/SrCuOx/DFT/4-7-28/POSCAR
examples/SrCuOx/DFT/4-7-28/vasprun.xml
examples/SrCuOx/DFT/4-7-29/POSCAR
examples/SrCuOx/DFT/4-7-29/vasprun.xml
examples/SrCuOx/DFT/4-7-3/POSCAR
examples/SrCuOx/DFT/4-7-3/vasprun.xml
examples/SrCuOx/DFT/4-7-30/POSCAR
examples/SrCuOx/DFT/4-7-30/vasprun.xml
examples/SrCuOx/DFT/4-7-31/POSCAR
examples/SrCuOx/DFT/4-7-31/vasprun.xml
examples/SrCuOx/DFT/4-7-32/POSCAR
examples/SrCuOx/DFT/4-7-32/vasprun.xml
examples/SrCuOx/DFT/4-7-33/POSCAR
examples/SrCuOx/DFT/4-7-33/vasprun.xml
examples/SrCuOx/DFT/4-7-34/POSCAR
examples/SrCuOx/DFT/4-7-34/vasprun.xml
examples/SrCuOx/DFT/4-7-35/POSCAR
examples/SrCuOx/DFT/4-7-35/vasprun.xml
examples/SrCuOx/DFT/4-7-36/POSCAR
examples/SrCuOx/DFT/4-7-36/vasprun.xml
examples/SrCuOx/DFT/4-7-37/POSCAR
examples/SrCuOx/DFT/4-7-37/vasprun.xml
examples/SrCuOx/DFT/4-7-38/POSCAR
examples/SrCuOx/DFT/4-7-38/vasprun.xml
examples/SrCuOx/DFT/4-7-39/POSCAR
examples/SrCuOx/DFT/4-7-39/vasprun.xml
examples/SrCuOx/DFT/4-7-4/POSCAR
examples/SrCuOx/DFT/4-7-4/vasprun.xml
examples/SrCuOx/DFT/4-7-40/POSCAR
examples/SrCuOx/DFT/4-7-40/vasprun.xml
examples/SrCuOx/DFT/4-7-41/POSCAR
examples/SrCuOx/DFT/4-7-41/vasprun.xml
examples/SrCuOx/DFT/4-7-5/POSCAR
examples/SrCuOx/DFT/4-7-5/vasprun.xml
examples/SrCuOx/DFT/4-7-6/POSCAR
examples/SrCuOx/DFT/4-7-6/vasprun.xml
examples/SrCuOx/DFT/4-7-7/POSCAR
examples/SrCuOx/DFT/4-7-7/vasprun.xml
examples/SrCuOx/DFT/4-7-8/POSCAR
examples/SrCuOx/DFT/4-7-8/vasprun.xml
examples/SrCuOx/DFT/4-7-9/POSCAR
examples/SrCuOx/DFT/4-7-9/vasprun.xml
examples/SrCuOx/DFT/4-8-0/POSCAR
examples/SrCuOx/DFT/4-8-0/vasprun.xml
examples/SrCuOx/DFT/4-8-1/POSCAR
examples/SrCuOx/DFT/4-8-1/vasprun.xml
examples/SrCuOx/DFT/4-8-10/POSCAR
examples/SrCuOx/DFT/4-8-10/vasprun.xml
examples/SrCuOx/DFT/4-8-11/POSCAR
examples/SrCuOx/DFT/4-8-11/vasprun.xml
examples/SrCuOx/DFT/4-8-12/POSCAR
examples/SrCuOx/DFT/4-8-12/vasprun.xml
examples/SrCuOx/DFT/4-8-13/POSCAR
examples/SrCuOx/DFT/4-8-13/vasprun.xml
examples/SrCuOx/DFT/4-8-14/POSCAR
examples/SrCuOx/DFT/4-8-14/vasprun.xml
examples/SrCuOx/DFT/4-8-15/POSCAR
examples/SrCuOx/DFT/4-8-15/vasprun.xml
examples/SrCuOx/DFT/4-8-2/POSCAR
examples/SrCuOx/DFT/4-8-2/vasprun.xml
examples/SrCuOx/DFT/4-8-3/POSCAR
examples/SrCuOx/DFT/4-8-3/vasprun.xml
examples/SrCuOx/DFT/4-8-4/POSCAR
examples/SrCuOx/DFT/4-8-4/vasprun.xml
examples/SrCuOx/DFT/4-8-5/POSCAR
examples/SrCuOx/DFT/4-8-5/vasprun.xml
examples/SrCuOx/DFT/4-8-6/POSCAR
examples/SrCuOx/DFT/4-8-6/vasprun.xml
examples/SrCuOx/DFT/4-8-7/POSCAR
examples/SrCuOx/DFT/4-8-7/vasprun.xml
examples/SrCuOx/DFT/4-8-8/POSCAR
examples/SrCuOx/DFT/4-8-8/vasprun.xml
examples/SrCuOx/DFT/4-8-9/POSCAR
examples/SrCuOx/DFT/4-8-9/vasprun.xml
src/pyclupan/__init__.py
src/pyclupan/_version.py
src/pyclupan.egg-info/PKG-INFO
src/pyclupan.egg-info/SOURCES.txt
src/pyclupan.egg-info/dependency_links.txt
src/pyclupan.egg-info/entry_points.txt
src/pyclupan.egg-info/requires.txt
src/pyclupan.egg-info/top_level.txt
src/pyclupan/api/api_utils.py
src/pyclupan/api/pyclupan.py
src/pyclupan/api/pyclupan_calc.py
src/pyclupan/api/pyclupan_mc.py
src/pyclupan/api/pyclupan_regression.py
src/pyclupan/api/pyclupan_utils.py
src/pyclupan/api/run_pyclupan.py
src/pyclupan/api/run_pyclupan_calc.py
src/pyclupan/api/run_pyclupan_cluster.py
src/pyclupan/api/run_pyclupan_mc.py
src/pyclupan/api/run_pyclupan_regression.py
src/pyclupan/api/run_pyclupan_sample.py
src/pyclupan/api/run_pyclupan_utils.py
src/pyclupan/cluster/__init__.py
src/pyclupan/cluster/cluster_io.py
src/pyclupan/cluster/cluster_utils.py
src/pyclupan/cluster/run_cluster.py
src/pyclupan/core/__init__.py
src/pyclupan/core/cell_positions_utils.py
src/pyclupan/core/cell_utils.py
src/pyclupan/core/composition.py
src/pyclupan/core/interface_vasp.py
src/pyclupan/core/io_utils.py
src/pyclupan/core/lattice.py
src/pyclupan/core/lattice_utils.py
src/pyclupan/core/linalg_utils.py
src/pyclupan/core/model.py
src/pyclupan/core/pypolymlp_utils.py
src/pyclupan/core/spglib_utils.py
src/pyclupan/core/spin.py
src/pyclupan/derivative/__init__.py
src/pyclupan/derivative/derivative_utils.py
src/pyclupan/derivative/init_utils.py
src/pyclupan/derivative/labelings_utils.py
src/pyclupan/derivative/run_derivative.py
src/pyclupan/derivative/run_sample.py
src/pyclupan/features/__init__.py
src/pyclupan/features/cluster_functions.py
src/pyclupan/features/cluster_functions_mc.py
src/pyclupan/features/features_utils.py
src/pyclupan/features/orbit.py
src/pyclupan/features/orbit_utils.py
src/pyclupan/mc/__init__.py
src/pyclupan/mc/mc.py
src/pyclupan/mc/mc_runs.py
src/pyclupan/mc/mc_utils.py
src/pyclupan/misc/count_clusters.py
src/pyclupan/misc/common/.DS_Store
src/pyclupan/misc/common/isomorphism.py
src/pyclupan/misc/dd/dd_constructor.py
src/pyclupan/misc/dd/dd_node.py
src/pyclupan/misc/dd/obsolete/cluster_nonequiv_dd.py
src/pyclupan/misc/enum_examples/cluster_excluded.py
src/pyclupan/misc/enum_examples/enumeration_Sn3O4.py
src/pyclupan/misc/enum_examples/graph_charge.py
src/pyclupan/prediction/__init__.py
src/pyclupan/prediction/formation_energy_utils.py
src/pyclupan/prediction/prediction_io.py
src/pyclupan/regression/__init__.py
src/pyclupan/regression/regression_utils.py
src/pyclupan/regression/solvers.py
src/pyclupan/zdd/__init__.py
src/pyclupan/zdd/pyclupan_zdd.py
src/pyclupan/zdd/zdd.py
src/pyclupan/zdd/zdd_base.py
src/pyclupan/zdd/zdd_combinations.py
tests/conftest.py
tests/files/poscar-fcc-primitive
tests/files/poscar-perovskite-unitcell
tests/files/poscar-sc-primitive
tests/files/poscar-tetra-primitive
tests/files/poscar-wurtzite-primitive
tests/files/2x2_wurtzite/pyclupan_clusters.yaml
tests/files/2x2_wurtzite/pyclupan_derivatives_1.yaml
tests/files/2x2_wurtzite/pyclupan_ecis.yaml
tests/files/binary_fcc/derivative-1
tests/files/binary_fcc/derivative-2
tests/files/binary_fcc/poscar-end1
tests/files/binary_fcc/poscar-end2
tests/files/binary_fcc/pyclupan_clusters.yaml
tests/files/binary_fcc/pyclupan_derivatives_2.yaml
tests/files/binary_fcc/pyclupan_derivatives_3.yaml
tests/files/binary_fcc/pyclupan_derivatives_4.yaml
tests/files/binary_fcc/pyclupan_ecis.yaml
tests/files/binary_fcc/pyclupan_energies.hdf5
tests/files/binary_fcc/pyclupan_features.hdf5
tests/files/binary_fcc/pyclupan_formation_energies.hdf5
tests/files/binary_fcc/pyclupan_sample_attrs.yaml
tests/files/binary_perovskite/derivative-1
tests/files/binary_perovskite/derivative-2
tests/files/binary_perovskite/pyclupan_clusters.yaml
tests/files/binary_perovskite/pyclupan_clusters_short.yaml
tests/files/binary_perovskite/pyclupan_derivatives.yaml
tests/files/binary_perovskite/pyclupan_ecis.yaml
tests/files/ternary_fcc/derivative-1
tests/files/ternary_fcc/pyclupan_clusters.yaml
tests/files/ternary_fcc/pyclupan_derivatives_1.yaml
tests/files/ternary_fcc/pyclupan_derivatives_2.yaml
tests/files/ternary_fcc/pyclupan_derivatives_3.yaml
tests/files/ternary_fcc/pyclupan_ecis.yaml
tests/tests_cluster/test_cluster.py
tests/tests_command/test_command.py
tests/tests_core/test_cell.py
tests/tests_core/test_composition.py
tests/tests_core/test_interface_vasp.py
tests/tests_core/test_lattice.py
tests/tests_core/test_lattice_utils.py
tests/tests_core/test_linalg.py
tests/tests_core/test_model.py
tests/tests_core/test_pypolymlp.py
tests/tests_core/test_spglib.py
tests/tests_core/test_spin.py
tests/tests_core/vasprun.xml.2-0-0
tests/tests_core/vasprun.xml.2-1-0
tests/tests_derivative/test_derivative_class.py
tests/tests_derivative/test_init.py
tests/tests_derivative/test_labelings.py
tests/tests_derivative/test_sample.py
tests/tests_enum/test_enum_multi.py
tests/tests_enum/test_enum_single.py
tests/tests_features/test_2x2_wurtzite_cf.py
tests/tests_features/test_2x2_wurtzite_diff.py
tests/tests_features/test_binary_fcc_cf.py
tests/tests_features/test_binary_fcc_cf_class.py
tests/tests_features/test_binary_fcc_diff.py
tests/tests_features/test_binary_perovskite_cf.py
tests/tests_features/test_binary_perovskite_cf_class.py
tests/tests_features/test_binary_perovskite_diff.py
tests/tests_features/test_binary_perovskite_diff_short.py
tests/tests_features/test_features_utils.py
tests/tests_features/test_orbit.py
tests/tests_features/test_orbit_utils.py
tests/tests_features/test_ternary_fcc_cf.py
tests/tests_features/test_ternary_fcc_cf_class.py
tests/tests_features/test_ternary_fcc_diff.py
tests/tests_mc/POSCAR_init_fcc
tests/tests_mc/POSCAR_init_perovskite
tests/tests_mc/test_mc_2x2_wurtzite.py
tests/tests_mc/test_mc_binary_fcc.py
tests/tests_mc/test_mc_binary_perovskite.py
tests/tests_mc/test_mc_ternary_fcc.py
tests/tests_mc/test_mc_utils.py
tests/tests_prediction/test_formation_energy_utils.py
tests/tests_prediction/test_prediction_2x2_wurtzite.py
tests/tests_prediction/test_prediction_binary_fcc.py
tests/tests_prediction/test_prediction_io.py
tests/tests_prediction/test_prediction_ternary_fcc.py
tests/tests_regression/energy.dat
tests/tests_regression/pyclupan_ecis.yaml
tests/tests_regression/pyclupan_features.hdf5
tests/tests_regression/test_regression.py
tests/tests_regression/test_regression_utils.py