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NITROGEN 2.2.1 documentation
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Differentiable functions and the DFun class
The derivative array and lexical ordering
Creating
DFun
objects
Composition of differentiable functions
Jacobians, Hessians, and optimization
Automatic differentiation with the
autodiff
sub-package
A brief introduction to AD
Working with
adarray
objects
Mathematical functions
Linear algebra
Coordinate systems and the CoordSys class
Getting started
Z-matrix coordinates
Coordinate transformations
Coordinate system diagrams
Atomic coordinate systems
Discrete-variable representation (DVR) bases
Multidimensional quadrature bases
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