Search Results for "optimization fortran"

Scalable Molecular Analysis Solver for High-performance computing systems (SMASH) is massively parallel software for quantum chemistry calculations and released under the Apache 2.0 open source license. It is currently capable of energy, analytical gradient, and geometry optimization calculations of Hartree-Fock theory and Density Functional Theory (DFT), and energy calculations of Second-order Moller-Plesset (MP2) perturbation theory. DFT calculations can be performed on 100,000 CPU cores...

Airfoil optimization using the highly-regarded Xfoil engine for aerodynamic calculations. Starting with a seed airfoil, Xoptfoil uses particle swarm, genetic algorithm and direct search methodologies to perturb the geometry and maximize performance. The user selects a number of operating points over which to optimize, desired constraints, and the optimizer does the rest.

JPOP is a pure java parallel optimization package based on the Optimization Java Package. It supports analytical gradients and Hessians for non-linear optimization. JPOP is based on uncmin in Fortran but employs java arrays and object oriented code.

hybopt is a set of libraries to solve the identification and optimal control problems for hybrid (mechanistic/empirical) dynamic (ODE and DAE) models.