feat: update interfaces with ATAT#7534
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mohanchen
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Jun 30, 2026
| basis_type lcao | ||
| kspacing 0.5 | ||
| scf_nmax 100 | ||
| pseudo_dir /home/chenshengjun/ABACUS-pot/apns-pseudopotentials-v1 |
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use directories that users can access
mohanchen
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Jul 1, 2026
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We generally adopt a cautious approach when merging new pseudopotential and orbital files, as we aim to avoid bloating the source code repository. Please utilize the pseudopotentials and orbitals already available in the current codebase to construct your test cases whenever possible.
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We generally advise against committing program-generated log files to the source code repository.
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Unit Tests and/or Case Tests for my changes
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Any changes of core modules? (ignore if not applicable)