mdoptcli
Multidimensional Optimizer for Command Line
This program is a command-line interface to several
multi-dimensional optimization algorithms coded in
the *GNU Scientific Library -- GSL*.
Namely the *Simplex* algorithm, which does not need a gradient,
and from the gradient-based algorithms the *Conjugate Gradient -- CG*
and the *Broyden-Fletcher-Goldfarb-Shanno -- BFGS* methods.
The energy (and possibly energy gradient) is evaluated by a given command,
which has to accept coordinates on standard input and returns the appropriate
energy (or gradient) on standard output.