pyclupan

Contents:

• 1. Derivative structure enumeration using decision diagram
• 2. Nonequivalent cluster search
• 3. Counting numbers of colored clusters in derivative structures
• 4. Calculation of correlation functions for derivative structures
• 5. Development of cluster expansion model
• 6. pyclupan modules on ZDD construction
• 7. Examples of ZDD construction using pyclupan modules