Gromacs  2020.4
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quadraticsplinetable.cpp File Reference
#include "gmxpre.h"
#include "quadraticsplinetable.h"
#include <cmath>
#include <algorithm>
#include <functional>
#include <initializer_list>
#include <utility>
#include <vector>
#include "gromacs/tables/tableinput.h"
#include "gromacs/utility/alignedallocator.h"
#include "gromacs/utility/arrayref.h"
#include "gromacs/utility/exceptions.h"
#include "gromacs/utility/real.h"
#include "splineutil.h"
+ Include dependency graph for quadraticsplinetable.cpp:

Description

Implements classes for quadratic spline table functions.

Author
Erik Lindahl erik..nosp@m.lind.nosp@m.ahl@g.nosp@m.mail.nosp@m..com

Functions

void gmx::anonymous_namespace{quadraticsplinetable.cpp}::fillSingleQuadraticSplineTableData (const std::function< double(double)> &function, const std::function< double(double)> &derivative, const std::pair< real, real > &range, double spacing, std::vector< real > *functionTableData, std::vector< real > *derivativeTableData)
 Construct the data for a single quadratic table from analytical functions. More...
 
void gmx::anonymous_namespace{quadraticsplinetable.cpp}::fillSingleQuadraticSplineTableData (ArrayRef< const double > function, ArrayRef< const double > derivative, double inputSpacing, const std::pair< real, real > &range, double spacing, std::vector< real > *functionTableData, std::vector< real > *derivativeTableData)
 Construct the data for a single quadratic table from vector data. More...
 
void gmx::anonymous_namespace{quadraticsplinetable.cpp}::fillDdfzTableData (const std::vector< real > &functionTableData, const std::vector< real > &derivativeTableData, std::vector< real > *ddfzTableData)
 Create merged DDFZ vector from function & derivative data. More...