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Gromacs
2026.0-dev-20251119-5f0a571d
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Classes | |
| class | DensitySimilarityInnerProduct |
| Implementation for DensitySimilarityInnerProduct. More... | |
| class | DensitySimilarityRelativeEntropy |
| Implementation for DensitySimilarityRelativeEntropy. More... | |
| struct | CrossCorrelationEvaluationHelperValues |
| Helper values for evaluating the cross correlation. More... | |
| class | CrossCorrelationGradientAtVoxel |
| Calculate a single cross correlation gradient entry at a voxel. More... | |
| class | DensitySimilarityCrossCorrelation |
| Implementation for DensitySimilarityCrossCorrelation. More... | |
Functions | |
| real | relativeEntropyAtVoxel (real reference, real comparison) |
| Calculate a single summand in the relative entropy sum. | |
| real | relativeEntropyGradientAtVoxel (real reference, real comparison) |
| Calculate a single relative entropy gradient entry at a voxel. | |
| CrossCorrelationEvaluationHelperValues | evaluateHelperValues (DensitySimilarityMeasure::density reference, DensitySimilarityMeasure::density compared) |
| Calculate helper values for the cross-correlation. More... | |
| CrossCorrelationEvaluationHelperValues gmx::anonymous_namespace{densityfit.cpp}::evaluateHelperValues | ( | DensitySimilarityMeasure::density | reference, |
| DensitySimilarityMeasure::density | compared | ||
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Calculate helper values for the cross-correlation.
Enables numerically stable single-pass cross-correlation evaluation algorithm as described in Bennett, J., Grout, R. , Pebay, P., Roe D., Thompson D. "Numerically Stable, Single-Pass, Parallel Statistics Algorithms" and implemented in boost's correlation coefficient
1.8.5