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Store GCMC statistics per lambda value - #185

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lohedges merged 1 commit into
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feature_gcmc_stats
Jul 28, 2026
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Store GCMC statistics per lambda value#185
lohedges merged 1 commit into
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feature_gcmc_stats

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This PR adds supports for storing GCMC statistics per lambda value, since a GCMCSampler can now be re-used for simulations at multiple lambda values, e.g. when running a limited number of contexts. This is done in a backwards compatible ways, so checkpoint files with the old stats format are still handled correctly.

@lohedges lohedges added the enhancement New feature or request label Jul 28, 2026
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lohedges merged commit 54ffab8 into devel Jul 28, 2026
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lohedges deleted the feature_gcmc_stats branch July 28, 2026 09:26
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