[Tests] Add test for small cell#7216
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mohanchen merged 8 commits intodeepmodeling:developfrom Apr 9, 2026
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Pull request overview
Adds a new SDFT regression test case targeting very small (high-density) cells to cover the “small cell” scenario discussed in #7170 / #7023 (related to the mxr/Ewald changes in #7036).
Changes:
- Register the new CPU SDFT case in
tests/06_SDFT/CASES_CPU.txt. - Add a new test directory
24_PW_SDFT_SMALL_CELL/withINPUT,KPT,STRU,result.ref, and a briefREADME.
Reviewed changes
Copilot reviewed 6 out of 6 changed files in this pull request and generated 1 comment.
Show a summary per file
| File | Description |
|---|---|
| tests/06_SDFT/CASES_CPU.txt | Adds the new 24_PW_SDFT_SMALL_CELL case to the CPU SDFT test list. |
| tests/06_SDFT/24_PW_SDFT_SMALL_CELL/INPUT | Defines a small-cell SDFT SCF run configuration (PW basis, stress/force enabled). |
| tests/06_SDFT/24_PW_SDFT_SMALL_CELL/KPT | Provides a small k-point mesh for the case. |
| tests/06_SDFT/24_PW_SDFT_SMALL_CELL/STRU | Defines the small-cell deuterium structure and pseudopotential reference. |
| tests/06_SDFT/24_PW_SDFT_SMALL_CELL/result.ref | Adds reference values used by the integration test harness. |
| tests/06_SDFT/24_PW_SDFT_SMALL_CELL/README | One-line description of the test purpose. |
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Co-authored-by: Copilot <175728472+Copilot@users.noreply.github.com>
mohanchen
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mohanchen
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Apr 9, 2026
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Linked Issue
Fix #7170
Add tests for #7023, #7036
Unit Tests and/or Case Tests for my changes