Search Results for "optimization fortran"

UPDATE: As of March 2023, the CFDTOOLS project has moved its public repository to NASA's official organization on GitHub: https://www.github.com/nasa/cfdtools While this repository will remain available, it will no longer receive updates or be monitored for issues. Please see the link above for latest releases and issue status. ---- The CFD Utility Software Library (previously known as the Aerodynamics Division Software Library at NASA Ames Research Center) contains nearly 30...

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...

News: active RMG development has moved to github https://github.com/RMGDFT News: V4.1.0 released on 09/29/2020 News: V4.0.0 released on 09/01/2020 with major updates. News: V3.0.0 released on 06/09/2018 with major updates. News: V2.2.2 released on 10/14/2017 with minor bug fixes. News: V2.2 with performance enhancements, bug fixes and new features released on 06/26/2017. Sources are available with binaries to follow soon. News: V2.1 with many improvements released on...

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.

Molecular Graphics, Molecular Dynamics, Optimization, Quantum chemistry. Molecular model building. Explicit and implicit water models. http://www.biomolecular-modeling.com/Products.html

NOTE: Development continued at GitHub! Current version is higher than 1.2.0. GADfit is a Fortran implementation of global nonlinear curve fitting, based on a modified Levenberg-Marquardt algorithm. Global fitting refers to fitting many datasets simultaneously with some parameters shared among the datasets. The fitting procedure is very fast and accurate thanks to the use of automatic differentiation. The model curves (fitting functions) can be of essentially arbitrary complexity. This...

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.

News: since 2015 we continue all related developments within Collective Knowledge Framework: http://github.com/ctuning/ck/wiki Simple and universal event-based plugin framework and interface to open up hardwared black-box software (tools, application), make them interactive through external plugins, and connect them with other higher-level tools such as Collective Mind. For example, it is used to open up compilers (GCC, LLVM, Open64) for external tuning of optimization of internal heuristics, or to open up applications for online tuning and adaptation particularly on heterogeneous systems. It is based on successful Interactive Compilation Interface (ICI) which was added to mainline GCC >= 4.5. It supports C,C++,Fortran and Java. OpenME requires just one include file "openme.h" and 2 functions to register events or to have a call-back. ...

F2what is an open source project to translate algorithmic fortran to a variety of languages (java, dotnet and VBA so far). It offers a Fortran77 parser with code transformations, variable disambiguation, and modular output to other programming languages. It also offers already translated versions of Lapack and quadprog to Java, .Net and VBA, to give access to SVD, LU, QR, Cholesky, eigenvalue decomposition, linear system solving and QP optimization in those three languages.

A Python environment for large and sparse linear and nonlinear optimization using intuitive interfaces to linear algebra tools and subproblem solvers written in low-level languages. It provides building blocks to experiment with new ideas and algorithms.

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