Module Math

Collaboration diagram for Module Math:

Description

A brief description for Module Math.

Classes
class	gmx::ArrayRefWithPadding< typename >
	Interface to a C array of T (or part of a std container of T), that includes padding that is suitable for the kinds of SIMD operations GROMACS uses. More...

Functions
static void	rvec_add (const rvec a, const rvec b, rvec c)
	Mathematical operations on (deprecated) rvec and matrix classes. More...

Files
file	arrayrefwithpadding.h
	Declares gmx::ArrayRefWithPadding that refers to memory whose size includes padding for SIMD operations.
file	boxmatrix.h
	Declares routines to operate on 3x3 matrices that are boxes, ie. have zero values in their upper right triangle.
file	coordinatetransformation.h
	Declares coordinate transformation routines.
file	densityfit.h
	Declares density similarity measures and their derivatives.
file	densityfittingforce.h
	Declares classes to calculate density fitting forces.
file	exponentialmovingaverage.h
	Declares an exponential moving average class.
file	gausstransform.h
	Declares Gaussian function evaluations on lattices and related functionality.
file	invertmatrix.h
	Declares routines to invert 3x3 matrices.
file	matrix.h
	Declares special case of 3x3 matrix frequently used, and associated functions.
file	multidimarray.h
	Declares MultiDimArray.
file	neldermead.h
	Declare classes to aid Nelder-Mead downhill simplex optimisation.
file	nrjac.h
	Declares wrapper functions for higher-level matrix functions.
file	paddedvector.h
	Declares gmx::PaddedRVecVector.
file	nrjac.cpp
	Defines wrapper functions for higher-level matrix functions.
file	testarrayrefs.h
	Declares functions for comparing views of vector-like data.
file	functions.h
	Declares simple math functions.

Function Documentation

static void rvec_add ( const rvec  a, const rvec  b, rvec  c  )

inlinestatic

Mathematical operations on (deprecated) rvec and matrix classes.

Todo:

Remove functions as Rvec replaces rvec and BasicMatrix3x3 replaces matrix