Uses of Package
ffx.numerics.math
Package
Description
The Atomic package has implementations of a double array that can be safely operated on by
multiple threads.
The Math package implements complex numbers, a software square root, and vector operations.
The Bonded package implements bonded molecular mechanics terms such as bonds, angles, torsions,
etc.
The Parsers package handles reading/writing files to/from the internal data structure.
The Utils package implements core functionality needed for using the Potential package, such as
opening and closing structure files, basic force field energy evaluations, etc.
The X-ray package implements support for X-ray and Neutron refinement.
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ClassDescriptionThe SummaryStatistics class uses online, stable algorithms to calculate summary statistics from double arrays/lists, including mean, variance, standard deviation, max, min, sum, and count.
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ClassDescriptionComplexNumber class.Convenience class for working with 3D double vectors.Convenience class for working with 3D float vectors.The RunningStatistics class uses online, stable algorithms to calculate summary statistics from a source of doubles, including mean, variance, standard deviation, max, min, sum, and count.
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ClassDescriptionThe RunningStatistics class uses online, stable algorithms to calculate summary statistics from a source of doubles, including mean, variance, standard deviation, max, min, sum, and count.
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ClassDescriptionThe RunningStatistics class uses online, stable algorithms to calculate summary statistics from a source of doubles, including mean, variance, standard deviation, max, min, sum, and count.
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