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improve gradient computation of eucledian kinetic energy #567

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fehiepsi opened this issue Apr 7, 2020 · 0 comments · Fixed by #883
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improve gradient computation of eucledian kinetic energy #567

fehiepsi opened this issue Apr 7, 2020 · 0 comments · Fixed by #883
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fehiepsi commented Apr 7, 2020

I have been wanted to do this for a while. Given the recent improvement in JAX regarding custom derivatives, it is time to make this enhancement. Currently, kinetic_energy is defined as x.T @ M @ x, which has an analytical grad formula (we will use this instead of relying on grad). This is just a small optimization but would be useful for the dense_mass case.

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