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apallath / WHAM

Python package to construct free energy profiles from biased molecular simulation data using both log-likelihood maximization and self-consistent iteration approaches.
https://apallath.github.io/WHAM/
MIT License
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Minor fixe #12

Closed apallath closed 4 years ago

apallath commented 4 years ago

Write C version of logsumexp -> clogsumexp Move alogsumexp and clogsumexp to lib