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

Directories

directory  include
 
directory  tests
 

Files

file  3dtransforms.cpp
 
file  coordinatetransformation.cpp
 Implements coordinate transformation routines.
 
file  densityfit.cpp
 Implements density similarity measures and their derivatives.
 
file  densityfittingforce.cpp
 Implements density fitting forces.
 
file  do_fit.cpp
 
file  exponentialmovingaverage.cpp
 Implements routines to calculate an exponential moving average.
 
file  functions.cpp
 Implements simple math functions.
 
file  gausstransform.cpp
 Implements Gaussian function evaluations on lattices and related functionality.
 
file  invertmatrix.cpp
 Routines to invert 3x3 matrices.
 
file  matrix.cpp
 Implements routines in matrix.h .
 
file  neldermead.cpp
 Implements routines in neldermead.h .
 
file  nrjac.cpp
 Defines wrapper functions for higher-level matrix functions.
 
file  optimization.cpp
 Implements routines in optimization.h .
 
file  utilities.cpp
 
file  veccompare.cpp
 
file  vecdump.cpp