Interface to use uma/omol25 NNP with Gaussian, ORCA, or GRRM (and simple optimization script)
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Updated
Aug 4, 2025 - Python
Interface to use uma/omol25 NNP with Gaussian, ORCA, or GRRM (and simple optimization script)
A python3 script to use XTB for GRRM.
A biographical tribute to my favorite author George R. R. Martin. Biography information was summarized from Wikipedia.
Direct Interface to XTB and GRRM
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