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hatemhelal / mess Public

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Pull requests: hatemhelal/mess

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Pull requests list

Add RI and THC-ISDF two-electron integral factorizations

#66 opened Feb 26, 2026 by rubber-duck-debug

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Add unrestricted Hartree-Fock and Kohn-Sham (UHF/UKS)

#65 opened Feb 24, 2026 by rubber-duck-debug

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DIIS (Direct Inversion of the Iterative Subspace) integration

#61 opened Aug 20, 2025 by ESEberhard • Draft

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wip: Differentiable Hamiltonian evaluation

#52 opened Aug 12, 2025 by hatemhelal

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wip: rationalise static_argnum usage

#51 opened Aug 11, 2025 by hatemhelal

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