ACCORD is a C library for composition of SEM or scanning helium-ion microscope images with correction of drift. It is able to compose (average) large sets of extremely noisy images that were acquired by scanning charged-particle microscopes at the highest possible speeds (lowest pixel-dwell times). If the images are composed using traditional techniques, they usually become extensively blurry. The technique that is implemented in this software corrects these derogations by pre-shifting the composed frames.
APBS is a software package for the numerical solution of the Poisson-Boltzmann equation (PBE), one of the most popular continuum models for describing electrostatic interactions between molecular solutes in salty, aqueous media. Continuum electrostatics plays an important role in several areas of biomolecular simulation, including simulation of diffusional processes to determine ligand-protein and protein-protein binding kinetics, implicit solvent molecular dynamics of biomolecules, solvation and binding energy calculations to determine ligand-protein and protein-protein equilibrium binding constants and aid in rational drug design, and biomolecular titration studies.
Chaos Visualization is a program for quickly calculating the amount of predictability in a very simple system: a spring with one side connected to the origin and the other to a weight under gravity. This amount is chaos is visualized in TIFF images, which can be put in a sequence to show the evolution of chaotic behaviour in this system.
Quaternions are numbers with 4 parts: one for time and three for space. Command Line Quaternions is a set of command line functions that generate thousands of points of quaternions, which are fed into animation software. This forms the foundations of analytic animations, a logical extension of analytic geometry.
Debyer takes a file with atom positions as input and can output X-ray and neutron diffraction patterns, the total scattering structure function, the pair distribution function (PDF), and related functions (RDF, reduced PDF). It can be used for comparison of molecular dynamics simulations or other models of atomistic structure of the material with X-ray and neutron powder diffraction experiments. The parallel version uses the MPI library.
ESMF is software for building and coupling weather, climate, and related models. The premise is that complicated applications should be broken up into smaller pieces, or components. A component is a unit of software composition that has a coherent function, and a standard calling interface and behavior. Components can be assembled to create multiple applications, and different implementations of a component may be available.
EXODUS II is a model developed to store and retrieve finite element geometry, topology, and transient data for finite element analyses. It is used for preprocessing, postprocessing, as well as code to code data transfer. ExodusII is based on netcdf. It includes the nemesis parallel extension.
Fimex is a the File Interpolation, Manipulation, and EXtraction library for gridded geospatial data. It converts between different, extensible data formats (currently netcdf, NcML, grib1/2, metgm, wdb, and felt). It enables you to change the projection and interpolation of scalar and vector grids. It makes it possible to subset the gridded data and to extract only parts of the files. For simple usage, Fimex also comes with the command line program fimex.