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We are proud to introduce version 5 of CAMPARI. We have added a number of new features, most notably a Python interface for interpreting user-supplied code (with the help of ForPy), a novel trajectory storage standard (with the help of libpqxx/PostgreSQL), and a module for performing transition path theory. Naturally, CAMPARI continues to provide the reference implementation of the ABSINTH force field paradigm and implicit solvation model. CAMPARI is a joint package for performing and...

..., microtron, linear and scaling FFAG, multi-pass ERL, etc.) and optical systems (magnetic and electrostatic optical components and beam lines, time-of-flight and mass spectrometers, etc.). It includes built-in fitting procedures, with a wide variety of constraints. It includes synchrotron radiation Poynting vector tracking, synchrotron radiation energy loss, space charge modeling, several Monte Carlo procedures.

NESSIE is a modern first-principle calculation software that can adequately address the need for ever-higher levels of numerical accuracy and high-performance in large-scale electronic structure simulations, as well as pioneer the fundamental study of quantum many-body effects in a large number of emerging nanomaterials. NESSIE is an electronic structure code that uses a real-space FEM discretization and domain-decomposition (DD) to perform all-electron ground-state DFT and real-time excited...

*************************************************************** ********** IRBEM-LIB WAS MOVED TO GITHUB ********** ********** https://github.com/PRBEM ********************* *************************************************************** IRBEM-LIB provides routines to compute magnetic coordinates for any location in the Earth's magnetic field, to perform coordinate conversions, to evaluate geophysics/space-physics models, and to propagate orbits in time.

.../2016. Sources and binaries are available. RMG is a density functional theory (DFT) based electronic structure code that uses real space grids to represent wavefunctions, charge densities and ionic potentials. Designed for scaleability it has been run successfully on systems with thousands of nodes and hundreds of thousands of CPU cores. It is currently under active development and contributions are gladly accepted.

Iterate is an implementation of the Bravais-lattice-finding algorithm from: Andrews and Bernstein, Acta Cryst. (1988). A44, 1009-1018 Lattices and Reduced Cells as Points in 6-Space and Selection of Bravais Lattice Type by Projections.

Fosite is a generic framework for the numerical solution of hyperbolic conservation laws in generalized orthogonal coordinates. Its main purpose is the simulation of compressible flows in accretion disks. The underlying numerical solution method belongs to the family of unsplit conservative finite volume TVD schemes. The method is 2nd order accurate in space and uses high order Runge-Kutta and multistep schemes for time evolution. In addition to the pure advection code several source terms have...

Now maintained at github.com/spacepy/spacepy Space Science library for Python - contains superposed epoch classes, drift shell tracing, access to magnetic field models, streamline tracing, bootstrap confidence limits, time and coordinate conversions, etc.

MieConScat is a GUI/Console program for generating MIE SCATtering data as a table of cross sections. It can generate scattering cross sections over specified angular ranges and total absorption cross sections. It was initially developed to aid work with optical particle counters (OPC) especially when CONverting data between cross section and diameter space. These methods are described in Rosenberg et al. 2012, Particle sizing calibration with refractive index correction for light scattering...

The Open Source Space Flight Dynamics (OSSFD) project is intended to provide the community with an open source solution to space flight dynamics.