Feature: Add a new parameter out_freq_td to control output frequency in RT-TDDFT
#6796
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There is a better way to do this, need time to refactor. |
mohanchen
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Dec 20, 2025
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Not a perfect solution, but it is acceptable.
mohanchen
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Refactor
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(Sorry, but we need to refresh the workflows.) |
AsTonyshment
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mohanchen
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Dec 23, 2025
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Changes
ctrl_output_fp,ctrl_scf_lcao, andctrl_output_tdare now controlled byout_freq_td, triggering every N completed electronic evolution steps.