Fix JSON coordinate units - #7760
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mohanchen merged 2 commits intoAug 2, 2026
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This PR changes JSON coordinates from tau * lat0 (Bohr) to tau * lat0_angstrom, matching the documented Angstrom unit. It seems cell may have the same issue: both init and output write raw latvec, while the documentation says cell is in Angstrom. Should it also be multiplied by lat0_angstrom? |
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@Stardust0831 I agree with you. I didn't find this issue since I always use: But for some old examples, |
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LGTM. Thanks for your contribution!
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AGENTS.mdanddocs/developers_guide/agent_governance.md.source/changes.Linked Issue
Fix #7750
Unit Tests and/or Case Tests for my changes
What's changed?
Governance Notes