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choderalab / chiron

Differentiable Markov Chain Monte Carlo
https://github.com/choderalab/chiron/wiki
MIT License
14 stars 1 forks source link

Remove copy and switch to return SamplerState #24

Open wiederm opened 6 months ago

wiederm commented 6 months ago

In multiple places throughout the code, we are making deepcopies of the SamplerState. This is not necessary. Related to that, we should avoid modifying the SamplerState in place and return the SamplerState.