asr.c2db.dimensionality¶
Contents
Summary¶
This is the documentation for asr.c2db.dimensionality
-recipe.
This recipe is comprised of a single instruction, namely:
Run this recipe through the CLI interface
$ asr run asr.c2db.dimensionality
or as a python module
$ python -m asr.c2db.dimensionality
Steps¶
asr.c2db.dimensionality¶
- asr.c2db.dimensionality.main(atoms)[source]¶
Make cluster and dimensionality analysis of the input structure.
Analyzes the primary dimensionality of the input structure and analyze clusters following Mahler, et. al. Physical Review Materials 3 (3), 034003.
- Parameters
atoms (ase.atoms.Atoms) –
- Return type
asr.core.results.ASRResult