Feature: add smooth ethr for all iter methods #5732
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mohanchen
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Dec 16, 2024
mohanchen
approved these changes
Dec 16, 2024
mohanchen
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Fisherd99
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Mar 31, 2025
* update input parameter * add smooth ethr for all methods * fix integrated_test * Update input-main.md
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Added a new input parameter,
diago_smooth_ethr, to control the use of the smooth threshold strategy in iterative methods.diago_smooth_ethris set to false, meaning the feature is disabled.diago_smooth_ethrenhances the efficiency of calculations without impacting total energy, forces, or other ground-state properties.