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Factorisation of phonon test cases #822

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merged 6 commits into from
Jan 24, 2024
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@epolack epolack commented Feb 10, 2023

Phonon PR: implement the true solutions (AD is the reference) for phonon computations & tests simplification.

antoine-levitt

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@epolack epolack closed this Feb 23, 2023
@epolack epolack reopened this Feb 23, 2023
@epolack epolack marked this pull request as draft October 3, 2023 15:25
@epolack epolack closed this Jan 19, 2024
@epolack epolack reopened this Jan 19, 2024
@epolack epolack force-pushed the phonon_ad branch 2 times, most recently from f412448 to 47c83f0 Compare January 19, 2024 13:23
@epolack epolack changed the title Dynamical matrix computation at Γ using AD Factorisation of phonon test cases Jan 19, 2024
@epolack epolack marked this pull request as ready for review January 19, 2024 13:44
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@mfherbst mfherbst merged commit 5049ffb into JuliaMolSim:master Jan 24, 2024
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@epolack epolack deleted the phonon_ad branch January 24, 2024 14:51
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3 participants