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Find a way to handle symmetry equivalent configurations.
Option A: Manually mark symmetry equivalent positions. After the dyes have been generated, delete all symmetry equivalent structures based on these patterns in these user-specified positions.
Option B: Find a package which can automatically recognize symmetry, removing the need for manual interference.
The text was updated successfully, but these errors were encountered:
Added the find_equivalent_atoms() function, which finds and returns the indices of symmetry equivalent atoms. @JBelic: A potential (start of a) solution for the symmetry problem?
Find a way to handle symmetry equivalent configurations.
Option A: Manually mark symmetry equivalent positions. After the dyes have been generated, delete all symmetry equivalent structures based on these patterns in these user-specified positions.
Option B: Find a package which can automatically recognize symmetry, removing the need for manual interference.
The text was updated successfully, but these errors were encountered: