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In general the prefactor I do not like, we are putting a lot of interface pressure in multiplying by a constant. As we just saw, this functionality, which realistically spares the launching of a near-instant kernel, is bug inducing more than anything -.- |
RaulPPelaez
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Feb 10, 2026
RaulPPelaez
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Feb 10, 2026
…s to support this due to not using default lanczos
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This is changing sqrtMdotW to respect the prefactor argument since it was ignoring it before.
To test it, I'm generating the same random samples by seeding libMobility and making sure they match with/without the prefactor. This way of testing now works for all solvers except PSE, which will require deeper changes in UAMMD. As far as I can tell, PSE pulls its seeds from the System module in UAMMD (e.g. here), which is currently seeded randomly (and amusingly).
Two questions for you @RaulPPelaez :