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docs(governance): allow module-level AGENTS.md under source/ #8148
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docs(governance): allow module-level AGENTS.md under source/
8d75259
docs(governance): use current module names in esolver AGENTS.md example
22eb02d
Merge branch 'develop' into 2026-10-15-line1
mohanchen b5ac756
docs(governance): scope esolver orchestration to a single ionic step
52dd295
Merge remote-tracking branch 'origin/2026-10-15-line1' into 2026-10-1…
9c12f89
Merge branch 'develop' into 2026-10-15-line1
mohanchen 9d86080
Merge branch 'develop' into 2026-10-15-line1
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,16 @@ | ||
| # ESolver Module Rules | ||
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| `source_esolver` is the cockpit dashboard of ABACUS: it presents the high-level | ||
| algorithm workflow, while the low-level implementation details stay "under the | ||
| hood" in their owning modules. | ||
|
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||
| 1. `esolver` functions only orchestrate the algorithm flow within one ionic | ||
| step (e.g., the SCF iteration); the outer ionic loop lives in the calling | ||
| driver (`source_relax`, `source_md`). Any computation of a concrete | ||
| physical quantity must be implemented in the owning module (e.g., | ||
| `source_estate`, `source_hamilt`) and called from `esolver` as a named | ||
| step. | ||
| 2. Do not add ad-hoc function names to `esolver`. New steps must reuse the | ||
| naming conventions already shared across solvers, so that all `esolver` | ||
| implementations read uniformly. If no suitable name exists, propose the | ||
| convention change first. | ||
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