Doc: Enhance the doc of scf_thr and scf_ene_thr#7280
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Pull request overview
Updates the documentation for SCF convergence thresholds (scf_thr, scf_ene_thr) to clarify how SCF convergence is determined and to reduce confusion with the screen-reported EDIFF (referenced by Issue #6454).
Changes:
- Expanded
scf_thrdescription to clarify interaction withscf_ene_thrfor SCF convergence. - Expanded
scf_ene_thrdescription to clarify what energy difference is compared and how it differs from screen outputEDIFF. - Kept parameter docs consistent across C++ input help text,
docs/parameters.yaml, and the rendered input manual.
Reviewed changes
Copilot reviewed 3 out of 3 changed files in this pull request and generated 4 comments.
| File | Description |
|---|---|
| source/source_io/module_parameter/read_input_item_elec_stru.cpp | Updates in-program parameter descriptions for scf_thr/scf_ene_thr. |
| docs/parameters.yaml | Updates canonical parameter documentation entries for scf_thr/scf_ene_thr. |
| docs/advanced/input_files/input-main.md | Updates the user-facing INPUT manual text for scf_thr/scf_ene_thr. |
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Co-authored-by: Copilot <175728472+Copilot@users.noreply.github.com>
Co-authored-by: Copilot <175728472+Copilot@users.noreply.github.com>
Co-authored-by: Copilot <175728472+Copilot@users.noreply.github.com>
mohanchen
approved these changes
Apr 28, 2026
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Reminder
Linked Issue
Fix #6454
Unit Tests and/or Case Tests for my changes
What's changed?
Any changes of core modules? (ignore if not applicable)