
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 
 Implements coordinate transformation routines.


file  coordinatetransformation.h 
 Declares coordinate transformation routines.


file  densityfit.cpp 
 Implements density similarity measures and their derivatives.


file  densityfit.h 
 Declares density similarity measures and their derivatives.


file  densityfittingforce.cpp 
 Implements density fitting forces.


file  densityfittingforce.h 
 Declares classes to calculate density fitting forces.


file  do_fit.cpp 

file  do_fit.h 

file  exponentialmovingaverage.cpp 
 Implements routines to calculate an exponential moving average.


file  exponentialmovingaverage.h 
 Declares an exponential moving average class.


file  functions.cpp 
 Implements simple math functions.


file  functions.h 
 Declares simple math functions.


file  gausstransform.cpp 
 Implements Gaussian function evaluations on lattices and related functionality.


file  gausstransform.h 
 Declares Gaussian function evaluations on lattices and related functionality.


file  gmxcomplex.h 

file  invertmatrix.cpp 
 Routines to invert 3x3 matrices.


file  invertmatrix.h 
 Declares routines to invert 3x3 matrices.


file  matrix.cpp 
 Implements routines in matrix.h .


file  matrix.h 
 Declares special case of 3x3 matrix frequently used, and associated functions.


file  multidimarray.h 
 Declares MultiDimArray.


file  neldermead.cpp 
 Implements routines in neldermead.h .


file  neldermead.h 
 Declare classes to aid NelderMead downhill simplex optimisation.


file  optimization.cpp 
 Implements routines in optimization.h .


file  optimization.h 
 Declare function optimization routines.


file  paddedvector.h 
 Declares gmx::PaddedRVecVector.


file  units.cpp 

file  units.h 

file  utilities.cpp 

file  utilities.h 

file  vec.h 

file  veccompare.cpp 

file  veccompare.h 

file  vecdump.cpp 

file  vecdump.h 

file  vectypes.h 
