msg-byu / enumlib

Derivative structure enumeration library
MIT License
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help wanted #128

Open XinYu73 opened 2 weeks ago

XinYu73 commented 2 weeks ago

In “Algorithm for Generating Derivative Structures,” the authors utilize a quotient group to enhance the efficiency of duplicate removal. While removing duplicates caused by translations is straightforward, I find it less clear how rotation operations can be translated into permutation operations using the following equation. Could someone please help me understand this? I appreciate any help you can provide.

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