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marwafarbmhowe23
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Fixing the UHF hamiltonian generation (#309)
In this PR: 1- We allowed the calculation for the spin molecular Hamiltonian for both full and active space using UHF 2- We fixed the electron integrals calculation for the active space Hamiltonian when using the UHF molecular orbitals. --------- Signed-off-by: marwafar <[email protected]> Signed-off-by: Ben Howe <[email protected]> Co-authored-by: Ben Howe <[email protected]> Co-authored-by: Ben Howe <[email protected]>
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.github/workflows/pr_sanity_checks.yaml

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jobs:
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check-changes:
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name: Check changes
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runs-on: ubuntu-latest
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runs-on: ubuntu-24.04
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outputs:
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check-cpp: ${{ steps.filter.outputs.check-cpp }}
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check-all-cpp: ${{ steps.filter.outputs.check-all-cpp }}
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name: Check Python code formatting
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needs: [check-changes]
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if: needs.check-changes.outputs.check-python == 'true' || needs.check-changes.outputs.check-all-python == 'true'
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runs-on: ubuntu-latest
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runs-on: ubuntu-24.04
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steps:
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- name: Checkout repository
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uses: actions/checkout@v4
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with:
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set-safe-directory: true
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- name: Set up Python
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uses: actions/setup-python@v4
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uses: actions/setup-python@v6
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with:
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python-version: '3.12'
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