Moved general surface hopping functions to SurfaceHoppingMethods.jl #356
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Moved two generally applicable surface hopping functions get_hopping_nonadiabatic_coupling() and get_hopping_velocity() to SurfaceHoppingMethods.jl and moved their duplicate RingPolymer definitions to the same file to bring these definitions more in line with the duplicate function definition philosophy in the rest of NQCD
reinimaurer1
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Feb 20, 2025
…357) * changed location of get_hopping_eigenvalues() changed the location of the definition of the get_hopping_eigenvalues() function to SurfaceHoppingMethods.jl so this general surface hopping function is defined in a more appropriate location * fixing mistake in previous commit Previous commit copied over the wrong function from SurfaceHoppingMethods\rpsh.jl * added RingPolymerSimulation as dependency in SurfaceHoppingMethods.jl * Moved general surface hopping functions to SurfaceHoppingMethods.jl (#356) Moved two generally applicable surface hopping functions get_hopping_nonadiabatic_coupling() and get_hopping_velocity() to SurfaceHoppingMethods.jl and moved their duplicate RingPolymer definitions to the same file to bring these definitions more in line with the duplicate function definition philosophy in the rest of NQCD * Imported get_centroid() to SurfaceHoppingMethods Added get_centroid() to SurfaceHoppingMethods.jl so that get_hopping_velocity() is able to work as expected.
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Moved two generally applicable surface hopping functions get_hopping_nonadiabatic_coupling() and get_hopping_velocity() to SurfaceHoppingMethods.jl and moved their duplicate RingPolymer definitions to the same file to bring these definitions more in line with the duplicate function definition philosophy in the rest of NQCD