Gromacs
2023.2
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#include "gmxpre.h"
#include "gromacs/math/neldermead.h"
#include <algorithm>
#include <list>
#include <numeric>
#include <vector>
#include "gromacs/math/utilities.h"
#include "gromacs/utility/arrayref.h"
#include "gromacs/utility/gmxassert.h"
Implements routines in neldermead.h .
Classes | |
struct | gmx::anonymous_namespace{neldermead.cpp}::NelderMeadParameters |
The parameters for a Nelder-Mead optimisation. More... | |
Functions | |
std::vector< real > | gmx::anonymous_namespace{neldermead.cpp}::linearCombination (real alpha, ArrayRef< const real > a, real beta, ArrayRef< const real > b) |
Evaluate the linear combination of two vectors a and b. More... | |
Variables | |
constexpr NelderMeadParameters | gmx::anonymous_namespace{neldermead.cpp}::defaultNelderMeadParameters = { 1, 2, 0.5, 0.5 } |