Commit 47304d5
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The working code for the re-implementation of Dr. Grund's generator.
Here, the code is needed to be cleaned but an example case for C6H6 with
[1,1,1,1,1,1] hydrogen distribution is given.
Functions:
run:Combination of candidate structure generator and canonical test.
genStrip: the candidate structure generator.
canonicalTest: blockwise canonical test1 parent 651d48a commit 47304d5
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