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s-dftd3 Hessians - #525

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loriab merged 3 commits into
MolSSI:masterfrom
loriab:d3hes
Oct 16, 2026
Merged

loriab merged 3 commits into
MolSSI:masterfrom
loriab:d3hes

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@loriab

@loriab loriab commented Oct 16, 2026

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Description

see RN closes #522

Changelog description

Status

  • Code base linted
  • Ready to go

@codecov

codecov Bot commented Oct 16, 2026 •

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Codecov Report

❌ Patch coverage is 11.76471% with 30 lines in your changes missing coverage. Please review.
✅ Project coverage is 26.34%. Comparing base (cdda366) to head (33b255d).
⚠️ Report is 38 commits behind head on master.

🚀 New features to boost your workflow:
  • ❄️ Test Analytics: Detect flaky tests, report on failures, and find test suite problems.

@loriab
loriab merged commit 64982fd into MolSSI:master Oct 16, 2026
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@loriab
loriab deleted the d3hes branch October 16, 2026 16:42
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Analytical hessians with s-dftd3 1.6

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