Gromacs
2025-dev-20240906-b7d3419
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#include <gromacs/math/include/gromacs/math/optimization.h>
Compiles results of an a function optimisation.
Public Attributes | |
std::vector< real > | coordinates_ |
The coordinates at which the optimal function value has been found. | |
real | functionValue_ |
The value of the function at the optimal coordinates. | |