Feature: support the output of matrix representation of symm_ops #6390
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mohanchen
approved these changes
Jul 18, 2025
mohanchen
added
Features Needed
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What's changed
Due to the necessity of printing the matrices to another file is not clear, given the amount of information, I support the output of symmetry operations' matrix representation to running log. Note that all the output of quantities that are printed to log file are controlled by corresponding keywords led by prefix
cal_, so the newly introduced keyword is calledcal_symm_repr.Linked Issue
Fix #6385
Note
There would be plenty of efforts needed to pay for printing the name of symm_op along with its matrix representation. While for a quick implementation, this is not implemented yet.