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thomasloux
previously requested changes
Mar 17, 2026
| out_pp = model_pp(sim_state) | ||
| out_pf = model_pf(sim_state) | ||
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| assert (out_pp["forces"] != 0.0).all() |
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!= on float value is not great, could you replace it by >=tol with tol=1e-6 for instance
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this is a check for exact zero's which would be a logic failure as opposed to numerically close to zero which would be fine. It being brittle is okay the problem was that seemingly we got one force that evaluated as equal to zero in the latest torch
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ok then could you just add a short comment about that, because it's really unusual to do that, good for me otherwise
CompRhys
dismissed
thomasloux’s stale review
made changes - timezone issues do not wait
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reduce tol to fp32 levels of 1e-6 rtol and 1e-7 atol.
allow for a zero force provided not all are zero.