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* The clustering of datasets in a low-dimensional space uses the method of Rodriguez and Laio (2014) ''Science'' '''344''', 1492-1496. | * The clustering of datasets in a low-dimensional space uses the method of Rodriguez and Laio (2014) ''Science'' '''344''', 1492-1496. | ||
* Limitation: the program does not work if the XSCALE.INP that produced the XSCALE_FILE has more than one OUTPUT_FILE. This is because the dataset numbers in XSCALE_FILE then do not start from 1. Workaround: do several XSCALE runs, one for each OUTPUT_FILE. | * Limitation: the program does not work if the XSCALE.INP that produced the XSCALE_FILE has more than one OUTPUT_FILE. This is because the dataset numbers in XSCALE_FILE then do not start from 1. Workaround: do several XSCALE runs, one for each OUTPUT_FILE. | ||
* A different but related program is [ | * A different but related program is [[xds_nonisomorphism]]. |