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Marcel-Rodekamp / NSL

Nanosystem Simulation Library (NSL) implements statistical simulations for systems on the nanoscale
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Split generate and thermalize #167

Open Chrisgant opened 4 months ago

Chrisgant commented 4 months ago

The generate function of the HMC class is doing the job of two functions. For better readability it should be split up. https://github.com/Marcel-Rodekamp/NSL/blob/3dd24fc331849d0b5665dc58fcd425a872e64237/src/NSL/MarkovChain/HMC.tpp#L57-L142