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GFN2-xTB #192

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marvinfriede opened this issue Jan 3, 2025 · 0 comments

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feature

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marvinfriede commented Jan 3, 2025 •

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Core Hamiltonian (GFN2 Core Hamiltonian #191)
Self-consistent D4 (GFN2: Self-consistent DFT-D4 #193)
Multipole Electrostatics
Repulsion
Autograd tests

marvinfriede added the feature label

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