Parse the group-subgroup relation between two structures

MaterSim / PyXtal

A code to generate atomic structure with symmetry

MIT License

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Parse the group-subgroup relation between two structures #260

Open qzhu2017 opened 3 months ago

qzhu2017 commented 3 months ago

For the same chemical composition, check if they are related via group-subgroup symmetry For different chemical compositions, check if they are related via group-subgroup symmetry by considering chemical substitution.