Fix flicking xtb/gfnff test #1204
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Signed-off-by: Igor S. Gerasimov <[email protected]>
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Signed-off-by: Igor S. Gerasimov <[email protected]>
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marvinfriede
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Feb 28, 2025
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This patch fixes flicking gfnff test that sometimes happens on MacOS runners due to out-of-memory access.
As I can see, there should be an additional term related to topology constraints, however, it was never implemented for gradients.