Gromacs  2024.2
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math Directory Reference
+ Directory dependency graph for math:

Files

file  3dtransforms.h
 
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  gmxcomplex.h
 
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  optimization.h
 Declare function optimization routines.
 
file  paddedvector.h
 Declares gmx::PaddedRVecVector.
 
file  veccompare.h
 
file  vecdump.h