Search Results for "order"

...It supports exponential curve fitting for the calculation of the R1 and R2 relaxation rates, calculation of the NOE, reduced spectral density mapping, the Lipari and Szabo model-free analysis, study of domain motions via the N-state model and frame order dynamics theories using anisotropic NMR parameters such as RDCs and PCSs, the investigation of stereochemistry in dynamic ensembles, and the analysis of relaxation dispersion data.

...Luscus can also visualize dipole moments, normal modes, molecular orbitals, electron densities and electrostatic potentials. In addition, simple geometrical objects can be rendered in order to point out a geometrical feature or a physical quantity. The program is developed as a graphical interface for MOLCAS program package, however it's adaptive nature makes possible using luscus with other computational program packages and chemical formats. If you use this program, please cite: G. Kovačević, V. Veryazov, J. Cheminformatics, 7 (2015) 1-10; DOI: 10.1186/s13321-015-0060-z

atomes is a Free (Open Source) cross-platform software licensed under the terms of the Affero GPL v3+ license. atomes is a toolbox developed to analyze, to visualize and to create/edit three-dimensional atomistic models. atomes also provides an advanced input preparation system for further calculations using well known molecular dynamics codes: - Classical MD : DL-POLY and LAMMPS - ab-initio MD : CPMD and CP2K - QM-MM MD : CPMD and CP2K atomes is developed by Dr. Sébastien Le...

...Thus, high-order methods require a new "format" that still represents a linear (or more generally non-linear) operator, but not through a sparse matrix.

This is a fork of Panorama Tools / libpano13-2.9.21 Mercurial. PTOptimizer is part of panorama tools, a great software for aligning and stitching several partially overlapping photos in order to get a bigger photo. When you have only a small or medium number of images and control points, the original PTOptimizer does the optimization in a fairly short time. However if you have a large number of images (several hundrets or more than thousand) and control points, PTOptimizer typically needs much time (up to several days) for the optimization of the parameters. ...

The OpenCMISS-Zinc Library (opencmiss.org/zinc), or Zinc, is a software library for building interactive graphical modelling and visualisation applications. Models are represented in Zinc as mathematical fields defined over domains, including finite elements with support for high-order basis functions, complex parameter mappings and time variation, and image-based fields. Further fields can be defined by mathematical expressions and algorithms on existing fields, including image processing filters. Zinc model data structures are dynamic, supporting interactive applications which programmatically create, destroy and modify parts of models.

A High-Order Multi-Variate Approximation Scheme for Arbitrary Data Sets, C implementation of the method described in http://web.mit.edu/qiqi/www/paper/interpolation.pdf, with Python and Fortran interfaces.

Tiger Mapping and Routing Server is being written in order to facilitate the creation of open source GPS navigation software. Its goal is to simplify street level routing and map drawing which are essential for user-friendly interfaces.