Examples

Example files for SHRY are found at shry-project/SHRY.

The examples/ directory contains several examples.

• example1.py: Basic enumeration and CIF output.

• example2.py: Comparison with enumlib.

• example3.py: LabeledStructure and label-based substitutions.

• example4a.py/4b.py: Caching pattern generation.

• example5.py: Generating ASE Atoms.

• example6.py: Ranking by Ewald energy.

• example7.py: Highest symmetry structures.

• example8.py: Merge multiple Wyckoff labels.