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Frustrated hops #328

Merged
merged 4 commits into from
Dec 19, 2023
Merged

Frustrated hops #328

merged 4 commits into from
Dec 19, 2023

Commits on Dec 9, 2023

  1. added new rescaling method ":vinversion" to abstract SurfaceHopping m… 

    …ethod. during a frustrated hop, the velocity along the NAC is inverted
    @reinimaurer1
    reinimaurer1 committed Dec 9, 2023
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Commits on Dec 11, 2023

  1. Update src/DynamicsMethods/SurfaceHoppingMethods/surface_hopping.jl 

    Co-authored-by: James Gardner <38594562+jamesgardner1421@users.noreply.github.com>
    @reinimaurer1 @jamesgardner1421
    reinimaurer1 and jamesgardner1421 authored Dec 11, 2023
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Commits on Dec 19, 2023

  1. added version of frustrated velocity inversion for Ring polymers

    @reinimaurer1
    reinimaurer1 committed Dec 19, 2023
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  2. added return

    @reinimaurer1
    reinimaurer1 committed Dec 19, 2023
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