Rigid calculations should not create a new output structure

pyscal / atomRDF

atomRDF is a python tool for ontology-based creation, manipulation, and quering of structures. atomRDF uses the Computational Material Sample Ontology (CMSO).

https://atomrdf.pyscal.org

MIT License

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Rigid calculations should not create a new output structure #148

Open srmnitc opened 4 months ago

srmnitc commented 4 months ago

Rigid workflow calculations should not create a new structure