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Have you tried these? You can use xTB methods as the Hamiltonian. |
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Dear developers and users,
I want to set up a gsm calculation to find a reaction path. Since it's a small system, I'd like to run the calculation on my personal laptop, a Macbook with a M2 chip. Is there a build of gsm for ARM64? If not, how should I proceed?
Best regards,
Marcos
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