Gromacs
2021-beta2-UNCHECKED
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#include <functional>
#include <list>
#include <vector>
#include "gromacs/utility/arrayref.h"
#include "gromacs/utility/real.h"
Declare classes to aid Nelder-Mead downhill simplex optimisation.
Classes | |
struct | gmx::RealFunctionvalueAtCoordinate |
Tie together coordinate and function value at this coordinate. More... | |
class | gmx::NelderMeadSimplex |
The simplex for the Nelder-Mead algorithm. More... | |