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Nelder-Mead downhill simplex optimisation
authorChristian Blau <cblau.mail@gmail.com>
Tue, 22 Sep 2020 07:30:09 +0000 (07:30 +0000)
committerPaul Bauer <paul.bauer.q@gmail.com>
Tue, 22 Sep 2020 07:30:09 +0000 (07:30 +0000)
commitb778fb5774852e6c07e641ece47bada20649066a
tree07012499810c22fdbd0c4e7e66fdd6456141625ctree | snapshot
parentde37fb99db4d1a6df3aa80e240e5a86b1bd3e960commit | diff
Nelder-Mead downhill simplex optimisation

Nelder-Mead simplex optimiser, according to Saša Singer and
John Nelder (2009), Scholarpedia, 4(7):2928. doi:10.4249/scholarpedia.2928

Implementation for functions returning real values from
vectors of reals.
src/gromacs/math/neldermead.cpp [new file with mode: 0644] blob
src/gromacs/math/neldermead.h [new file with mode: 0644] blob
src/gromacs/math/optimization.cpp [new file with mode: 0644] blob
src/gromacs/math/optimization.h [new file with mode: 0644] blob
src/gromacs/math/tests/CMakeLists.txt diff | blob | history
src/gromacs/math/tests/neldermead.cpp [new file with mode: 0644] blob
src/gromacs/math/tests/optimization.cpp [new file with mode: 0644] blob
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