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DM gradient for non-hermitain case #3

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DM gradient for non-hermitain case #3

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Commits on Feb 14, 2024

  1. DM gradient for non-hermitain case

    @basilib
    basilib committed Feb 14, 2024
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Commits on Jul 25, 2024

  1. Allow selecting real or imag freq axis

    @basilib
    basilib committed Jul 25, 2024
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  2. Fix bug for left Hamiltonain application

    @basilib
    basilib committed Jul 25, 2024
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  3. Merge branch 'ccsd_lmatvec' into chempot_biorth_fix

    @basilib
    basilib committed Jul 25, 2024
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Commits on Sep 17, 2024

  1. Update CCSD expressions for PBC

    @basilib
    basilib committed Sep 17, 2024
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  2. Fast Aufbau

    @basilib
    basilib committed Sep 17, 2024
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  3. Use pyscf lib einsum for moment

    @basilib
    basilib committed Sep 17, 2024
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  4. Add AufbauPrincipleBisect to __init__.py

    @basilib
    basilib committed Sep 17, 2024
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  5. Revert "DM gradient for non-hermitain case" 

    This reverts commit d60e1b7.
    @basilib
    basilib committed Sep 17, 2024
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  6. Add tests for AufbauPrincipleBisect

    @basilib
    basilib committed Sep 17, 2024
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  7. Add debug print

    @basilib
    basilib committed Sep 17, 2024
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