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Gromacs
2026.0-dev-20251119-5f0a571d
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Classes | |
| struct | NelderMeadParameters |
| The parameters for a Nelder-Mead optimisation. More... | |
Functions | |
| std::vector< real > | 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 | defaultNelderMeadParameters = { 1, 2, 0.5, 0.5 } |
| 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.
| [in] | alpha | scaling factor for a |
| [in] | a | vector to be scaled |
| [in] | beta | scaling factor for b |
| [in] | b | vector to be scaled |
1.8.5