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Optimize the fit-gradient calculation by saving the unrotated frame #226

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Optimize the fit-gradient calculation by saving the unrotated frame

Optimize the fit-gradient calculation by saving the unrotated frame #226

Run time

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Job Run time
GROMACS (release-2023) / test_backends
4m 55s
LAMMPS (develop) / test_backends
17m 46s
GROMACS (main) / test_backends
22m 43s
NAMD (main) / test_backends
8m 21s
VMD / test_backends
2m 37s
56m 22s