Gromacs
2024.4
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Functions | |
bool | histogramIsEquilibrated (ArrayRef< const PointState > pointStates) |
Checks if the histogram has equilibrated to the target distribution. More... | |
bool gmx::anonymous_namespace{histogramsize.cpp}::histogramIsEquilibrated | ( | ArrayRef< const PointState > | pointStates | ) |
Checks if the histogram has equilibrated to the target distribution.
The histogram is considered equilibrated if, for a minimum fraction of the target region, the relative error of the sampled weight relative to the target is less than a tolerance value.
[in] | pointStates | The state of the bias points. |