Gromacs  2022.2
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math Directory Reference
+ Directory dependency graph for math:

Directories

directory  tests
 

Files

file  3dtransforms.cpp
 
file  3dtransforms.h
 
file  arrayrefwithpadding.h
 Declares gmx::ArrayRefWithPadding that refers to memory whose size includes padding for SIMD operations.
 
file  coordinatetransformation.cpp
 
file  coordinatetransformation.h
 Declares coordinate transformation routines.
 
file  densityfit.cpp
 
file  densityfit.h
 Declares density similarity measures and their derivatives.
 
file  densityfittingforce.cpp
 
file  densityfittingforce.h
 Declares classes to calculate density fitting forces.
 
file  do_fit.cpp
 
file  exponentialmovingaverage.cpp
 
file  exponentialmovingaverage.h
 Declares an exponential moving average class.
 
file  functions.cpp
 
file  gausstransform.cpp
 
file  gausstransform.h
 Declares Gaussian function evaluations on lattices and related functionality.
 
file  gmxcomplex.h
 
file  invertmatrix.cpp
 
file  invertmatrix.h
 Declares routines to invert 3x3 matrices.
 
file  matrix.cpp
 
file  matrix.h
 Declares special case of 3x3 matrix frequently used, and associated functions.
 
file  multidimarray.h
 Declares MultiDimArray.
 
file  neldermead.cpp
 
file  neldermead.h
 Declare classes to aid Nelder-Mead downhill simplex optimisation.
 
file  optimization.cpp
 
file  optimization.h
 
file  paddedvector.h
 Declares gmx::PaddedRVecVector.
 
file  utilities.cpp
 
file  veccompare.cpp
 
file  veccompare.h
 
file  vecdump.cpp
 
file  vecdump.h