2D & 3D TeX-Aware Vector Graphics Language
Asymptote is a powerful descriptive vector graphics language for technical drawing, inspired by MetaPost but with an improved C++-like syntax. Asymptote provides for figures the same high-quality typesetting that LaTeX does for scientific text.
Blitz++ is a C++ class library for scientific computing which provides performance on par with Fortran 77/90. It uses template techniques to achieve high performance. Blitz++ provides dense arrays and vectors, random number generators, and small vectors (useful for representing multicomponent or vector fields).
Driver for GQ LLC GMC-300 Geiger Counter
GQGMC is a user level driver for interfacing a Linux host to GQ Electronic's GMC-300 geiger-muller counter. Written in C++, the driver provides an interface method for each of the capabilities of the GMC-300. A sample command line text only program and sample Qt based GUI program are provided.
A Library is for Finite Transforms
The Library is for Finite Transforms such as the Number Theoretic Transform (NTT) and Finite Radon Transform (FRT). Current modules include NTTW for NTTs with high resolution (microsecond) timing, basic array and imaging. The transforms are optimised for performance.
Hamilton Project is a software package concerning science and math in C++
Analysis and display software targeted at space physics data. See documentation at https://qsas.sourceforge.io/QSAShelp/QSAS_help_index.html
Scanning Probe Image Wizard - MATLAB Toolbox
SPIW is a MATLAB toolbox, for automated processing of scanning probe microscope images. Tools are applicable to all SPM images, but the main focus is on images with atomic or molecular resolution. SPIW is primarily a MATLAB toolbox with functions designed to be called in a user's own script. SPIW also has a very basic GUI for browsing and exporting images. For information on SPIW's performance see our publication ( http://dx.doi.org/10.1063/1.4827076 ) in the Review of Scientific Instruments. A related open-source project SPIEPy (https://pypi.python.org/pypi/SPIEPy/) is developing a python library to for automated SPM imaged enhancement. SPIEPy brings many SPIW algorithms to the Python user.
A Modular Python Toolbox for Cross-Platform Post-Processing of Quantum
PLEASE NOTE ORBKIT HAS BEEN MOVED TO https://github.com/orbkit/orbkit orbkit is a parallel Python program package for post-processing wave function data extracted from output files of MOLPRO (Molden File Format), TURBOMOLE (AOMix file format), GAMESS-US, PROAIMS/AIMPAC (wfn/wfx file format), and Gaussian (Output File and Formatted Checkpoint File) output files. Futhermore, an interface to cclib, a parser for quantum chemical logfiles, is provided. If you use orbkit in your work, please cite it as follows: Gunter Hermann, Vincent Pohl, Jean Christophe Tremblay, Beate Paulus, Hans-Christian Hege, and Axel Schild, "ORBKIT: A Modular Python Toolbox for Cross-Platform Postprocessing of Quantum Chemical Wavefunction Data", J. Comput. Chem. 2016, DOI: 10.1002/jcc.24358. orbkit's documentation can be found at http://orbkit.github.io/
C++ library for very easy operating with TLE data sets and files.
The TLELib is the C++ library, which allows to read and write the TLE files very easy. It provides 2 main objects: tlelib::Node - object, operating with NORAD two lines elements data. It allows to parse the data from 2 or 3 lines and to output the data into strings in according to the TLE format. tlelib::Stream - stream, allowing to read the TLE data from some object of iostream type, and to write the data in TLE format into such object.
Monte Carlo Simulations of Asymmetric Exclusion Processes
Monte Carlo simulations of various classes of asymmetric exclusion processes (ASEP) with open and periodic boundaries. ASEP is a paradigmatic model of non equilibrium statistical mechanics. It can be utilized to model various non-equilibrium phenomena in Biology such as molecular motor transport and protein synthesis. The code's comments will be gradually expanded upon; if there are mistaken or unclear comments they will be corrected. We cannot give an estimation as to when because this is a side-project of ours, and the comments are not crucial to the code's workings.
DCCRG is an easy to use grid for FVM simulations. It handles load balancing (using Zoltan library) and neighbour cell data updates between processes automatically. MPI is used for parallelization.
Laxor is a C++ template library for componentwise tensor algebra, which uses the "Einstein" index notation in expressions and produces efficient binary code.
Mimotera++ is a light-weigth, portable, easy-to-use C++ API for handling Mimotera files and data. It is released under the LGPL license.
For the analysis of output data from the OFR method
The OFR method is a type of steered molecular dynamics method for determining potentials of mean force (PMF) (Phys. Rev. E, 2011, 83: 021114) and local diffusion coefficients, D(z) (Phys. Rev. E, 2012, 86: 036707). OFR-AT is a fast and convenient program for analyzing large output data files from the OFR method, and returns the information necessary to quickly and easily calculate the PMF and D(z) in a spreadsheet. The software is described in detail in the following article: J. Comp. Phys., 231(11): 4355-4364.
OpenPT is a software framework for developing applications that solve particle transport problems, including fully-featured deterministic and stochastic transport algorithms, cross section library generation, and depletion and activation methods.
StormRT is a real-time multi-resolution analysis and compression package for data compression and temporal feature detection over multiple timescales.