Visualization of wavefunctions calculated by VASP
VASPMO aims at visualizing wavefunctions (or molecular orbitals) from VASP calculations. It reads VASP's output files PROCAR and CONTCAR, and exports an *.out file in Gaussian's output format, which can be visualized by many popular visualization tools, such as JMol, Molekel, Chemcraft, Gabedit and Molden, etc. These tools can further generate *.cube files, which can be visualized by an even wider range of softwares. 读入VASP计算得到的PROCAR和CONTCAR文件，输出Gaussian结果文件。该文件能够被常用的量子化学可视化软件（如Molekel、Chemcraft、Gabedit、Molden和JMol等）读取，进而绘制和观看体系的分子轨道。有些软件还能导出 cube文件（如Chemcraft和Molden等），从而又能被很多支持cube格式文件的可视化软件所识别。
Program for Normalization, Averaging and Editing of In Situ Data Sets
2DFLT it is first out of two programs which allows implementation of Phase Sensitive Detection (PSD) and/or Modulated Enhanced Diffraction (MED) techniques on the in situ data. This software allows collecting individual data files from in situ experiment into one dataset. After that this data set can be visualized, edited, normalized and averaged. Resulted data can be saved as one flat file (FLT-format) which can be used for PSD/MED calculations via 2DMED software (http://sourceforge.net/projects/twodmed/?source=directory). 2DFLT specifically was written to target in situ X-ray Powder Diffraction data from synchrotron measurements. Hence it can read CHI, XYE (TOPAS), FXYE(GSAS/ GSASII) and XY- files formats. However it can read general in situ data written into individual TXT or XY – files.
Ab initio simulator for thermal transport and lattice anharmonicity
ALAMODE is designed for analyzing lattice anharmonicity and lattice thermal conductivity of solids. By using an external DFT package such as VASP and Quantum ESPRESSO, you can extract harmonic and anharmonic force constants straightforwardly with ALAMODE. Using the anharmonic force constants, you can also calculate lattice thermal conductivity from first principles. For more information about ALAMODE, please visit the following webpages: Documentation : http://alamode.readthedocs.io/en/latest/ git repository : https://github.com/ttadano/alamode
Common software for AMS-A
Common software for AMS-A
APBS is a software package for the numerical solution of the Poisson-Boltzmann equation, a popular continuum model for describing electrostatic interactions between molecular solutes over a wide range of length scales. <http://www.poissonboltzmann.org/>. Please register at http://goo.gl/LGVU5j before downloading!
Nuclear physics data acquisition system
Nuclear physics data acquisition system. The suit of applications can be used to collect data from physics experiments using CAMAC/CAEN/VME devices. The system is quite specialized, but the code can still be useful for others doing something similar...
The Accelerator Markup Language (AML) / Universal Accelerator Parser (UAP) project will develop an XML based format for describing high energy particle accelerators along with associated software to convert lattice files to a standard internal struct
Acoustic Simulation Library for Frequency and Time Domain Simulations.
ART is a flexible simulation framework for wind instruments. It includes a growing library of modelling elements. So far bore discontinuities, branches, tone holes, cylindrical and conical tubes, Bessel horns and bent tubes are available for frequency domain modelling. In the time domain generic bidirectional propagation elements, scattering elements, fractional delays, convolution with reflection functions and general z-domain networks are available and can be described using MuParserX expressions. Cylindrical and conical ducts can also be defined based on their geometry. Available models and their parameters can be enumerated and combined to form simulators for complex acoustical structures. Parameters can be specified symbolically by expressions containing other parameter values or global variables. Dependencies between parameters are resolved at run time. However, MuParserX expressions are compiled at design time. Zero-delay loops are detected and reported.
Advanced numerical instruments: adaptive meshing, FE methods, solvers
Ani3D provides portable libraries for each step in the numerical solution of systems of PDEs with variable tensorial coefficients: (1) unstructured adaptive mesh generation, (2) metric-based mesh adaptation, (3) finite element discretization and interpolation, (4) algebraic solvers.
Free multiphysics simulation software package
Advanced Simulation Library (ASL) is a free and open source multiphysics simulation software package. Its computational engine is based, among others, on the Lattice Boltzmann Methods (http://en.wikipedia.org/wiki/Lattice_Boltzmann_methods) and is written in OpenCL (http://en.wikipedia.org/wiki/OpenCL) which enable extraordinarily efficient deployment (http://asl.org.il/benchmarks) on a variety of massively parallel architectures, ranging from inexpensive FPGAs, DSPs and GPUs up to heterogeneous clusters and supercomputers. The engine is hidden entirely behind C++ classes, so that no OpenCL knowledge is required from application programmers. ASL can be utilized to model various coupled physical and chemical phenomena and employed in a multitude of fields: computational fluid dynamics, virtual sensing, industrial process data validation and reconciliation, image-guided surgery, computer-aided engineering, high-performance scientific computing, etc..
Astrophysical Integrated Research Environment
AIRE (Astrophysical Integrated Research Environment) is a set of computing facilities initiated by Tsinghua Center for Astrophysics , which aims to aid astrophysicists collect, store and analyze data.
MRI Multiple Echo T2 Analysis
Users load multiecho MRI data and draw ROIs. AnalyzeNNLS creates a T2 distribution from the averaged decay data. Regional fractions and geometric T2 times can be determined. Please reference: Bjarnason TA, Mitchell JR. JMR 206:200-4 (2010). Temporal Phase Correction included in version 2.5. If you use this functionality, please reference: Bjarnason TA, Laule C, Bluman J, Kozlowski P. JMR 232:22-31 (2013).
Cagliari-Orsay model for anharmonic molecular spectra in 2nd order PT
Given dynamical coefficients and/or derivatives of the ionic potential with respect to normal (harmonic) vibrational modes, compute anharmonic energies and electric dipole-permitted transitions and intensities using nearly-degenerate perturbation theory (i.e. properly accounting for Fermi and Darling-Dennison resonances).
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.
Software developed for the analysis of Neutron Reflectivity data.
Axiom is a computer algebra system. It consists of an interpreter, a compiler and a library of algorithms. Axiom is an excellent research platform as well as a useful tool for scientific programming.
Open Source Ballistic Calculator in C#
Ballisitic Calculator based on JBM's implementation 3-degree of freedom model, ported to C#, improved to support metric system and extended by some math from Litz's "Applied Ballistic" book. Calculator displays ballistic tables, graphs, comparison graph and reticle images. The application is free to use under GNU license
Bow and arrow physics simulation
This project has moved to http://sourceforge.net/p/bow-simulator
Bow and arrow physics simulation for Windows and Linux
Bow Simulator is a free, open-source software tool for bow and arrow physics simulation. It allows you to create virtual bow models and simulate their static and dynamic performance. The results include things like deformation, draw curve, material stresses, arrow velocity, degree of efficiency and more. This way bow designs can be evaluated and optimized before actually building them. For more information visit http://bow-simulator.org
A framework for simulating open quantum dynamics
C++QED is an application-programming framework for simulating open quantum dynamics in general. It has demonstrated the ability to simulate full Master equation of up to several thousand, and quantum trajectories of up to several hundred thousand dimensions. The basic idea is to allow users to build arbitrarily complex interacting quantum systems out of free subsystems and interactions (elements), and simulate their time evolution with a number of available time-evolution drivers. C++QEDv2 specifies a small grammar to describe composite quantum systems. Apart from providing a number of elements out of the box, there are tools which facilitate the implementation of new elements. These are being added continuously, as the need arises. The principal concept of the design of C++QEDv2 is that all information available at compile time should be processed as such, with the help of TMP. The framework is very sensitive to performance both in computer resources and coding/design.
Dedicated to computer-aided engineering Linux distribution
CAELinux is a live DVD Linux distribution dedicated to open source engineering with a focus on Computer Aided Engineering and Scientific Computing. Based on Ubuntu, it features a full software solution for open source production development with many CAD/CAM/CAE applications. It includes Freecad & LibreCad 2D/3D CAD systems, Salome & GMSH pre/post processors, Code_Aster & Calculix non-linear FE solver, Code-Saturne & OpenFOAM CFD solvers, Elmer multiphysics suite, Helyx-OS, Discretizer, EnGrid & Netgen 3D meshers, GEDA, KiCad & Arduin electronic design tools, PyCAM, OpenSCAM & Cura for CNC G-code generation, GNU Octave, Rkward, wxMaxima, Scilab, Scipy & Spyder for computationnal & mathematics modeling, and many more.
Software for molecular simulations and trajectory analysis
We are proud to introduce version 3 of CAMPARI. This is a big step from version 2 primarily due to the comprehensive OpenMP (threads parallelism) support and due to significant improvements in both usability and performance. We have also again added a number of new algorithms from the recent literature, and CAMPARI of course continues to support the ABSINTH force field paradigm and implicit solvation model. CAMPARI is a joint package for performing and analyzing molecular simulations, in particular of polymers of biological relevance. It focuses on a wide availability of algorithms for (advanced) sampling and is capable of combining Monte Carlo and molecular dynamics sampling in seamless fashion. CAMPARI offers the user a very high level of control over all implemented features. For more information and features, please refer to the project's homepage at http://campari.sourceforge.net. Version 2 is no longer actively maintained but the final version continues to be available.
Generating cells for electronic structure calculations from CIF files
CIF2Cell is a tool to generate the geometrical setup for various electronic structure codes from a CIF (Crystallographic Information Framework) file. The program currently supports output for a number of popular electronic structure programs, including ABINIT, ASE, CASTEP, CP2K, CPMD, CRYSTAL09, Elk, EMTO, Exciting, Fleur, FHI-aims, Hutsepot, MOPAC, Quantum Espresso, RSPt, Siesta, SPR-KKR, VASP. Also exports some related formats like .coo, .cfg and .xyz-files. The program has been published in Computer Physics Communications 182 (2011) 1183–1186. Please cite generously.
Open Source Astronomy Tools
Open source tool to assist with study of Astronomy, Astrophysics and Cosmology. To include usefull data and calculation of common equations used in the basic study of these subjects. Later versions may interface to other existing Astronomy software t
Simulate high power rocket flights with splash down plots
This software allows you perform six degree of freedom simulations of High Power Rocket (HPR) and model rocket flights. Parachute descent is also simulated. 3D flight trajectories are produced as well as detailed tabular flight data. Running in Monte Carlo mode allows generates multiple possible flight paths and splash down plots, indicating the probability of landing in an area. Peer-reviewed publication in the Journal of Open Research Software (JORS) http://doi.org/10.5334/jors.137 "Cambridge Rocketry Simulator – A Stochastic Six-Degrees-of-Freedom Rocket Flight Simulator"