Fix normalization of weights for Helmholtz free energy calculation #9
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…1, i.e. ground state with multiplicity 1
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@liviabp any thoughts? I think this is the correct way to fix it - see the "Relation to the canonical partition function" section of https://en.wikipedia.org/wiki/Helmholtz_free_energy#Relation_to_the_canonical_partition_function. The equality to the log of the partition function is true when the entropy of the ground state is 0, i.e. its configuration space volume is 1. |
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Fix normalization of weights to make weight of lowest E config found 1.0, i.e. ground state with multiplicity 1
closes #6