An open source interactive computer program for Continuum Mechanics, Image analysis, Signal processing and System Identification. Target usage: Bioengineering application of finite element analysis, boundary element and collocation techniques.
zgoubi is a ray-tracing code in use for charged particle beam dynamics simulations. It can simulate beam dynamics in a large variety of machines and optical systems.
A package for isobaric-isothermal molecular dynamics simulations
This is an umbrella project for applications on Cell Broadband Engine. The categories under the Cell/B.E. Umbrella will be Digital Media, DCC, EDA, Financial Services, Imaging, Life Sciences, A&D, Seismic, HPC, Bioinformatics, Video Surveillance, Misc
A compiler and cross-compiler for (Currently) Cobol (with Fortran being added later). It is intended to be the first self-hosted open-source Cobol Compiler, e.g. the compiler itself will be written using Cobol.
Open-GMF is an open Ground Water Modeling Framework for hydrogeologists and reservoir engineers. It is an extensible development environment for finite-difference, finite-element, and finite-volume models tailored to specific problems.
A parallel molecular dynamics and modelling program
This is an f90 implementation of the Brown, Preston, and Singleton (BPS) stopping power. 1. L.S. Brown, D.L. Preston, and R.L. Singleton Jr., "Charged Particle Motion in a Highly Ionized Plasma," Phys. Rep. 410/4 (2005) 237; arXiv:physics/05009168.
hybopt is a set of libraries to solve the identification and optimal control problems for hybrid (mechanistic/empirical) dynamic (ODE and DAE) models.
FDS and Smokeview Development has moved to http://fire.nist.gov/fds please update your bookmarks.
A 2-D inviscid flow and adjoint solver on unstructured triangular grids. It makes use of a vertex-centroid finite volume scheme which is second order accurate. The adjoint solver is developed using the automatic differentiation tool called TAPENADE. Code has been moved to https://github.com/cpraveen/euler2d
ChesROMS is developing a ROMS model of the Chesapeake Bay to help in the prediction of Harmful Algal Blooms. We hope to catalyze a new method of community modeling with involvement beyond the core researchers of the ChesROMS project.
Stress intensity factor (SIF) calculation from crack tip displacements
The code implements Muskhelishvili's complex function approach to calculate 2D stress intensity factors (modes I+II) from crack tip displacement fields. Surface displacements can be used with a plane stress elastic model. The code uses power/Fourier series expansion and a conformal mapping of an ellipse onto a circle.
The GPU-BH tree solver is a FLASH4 module to calculate the gravitational potential using a CUDA device.
Simple But Powerful VIM Based Build Environment With Flex & Bison
The project's main purpose is to combine the existing open source tools into a powerful development environment. This is not just a Visual Studio like development environment, but also a Notepad upgrade, which can also be used to perform common tasks in daily use.
Minimalistic Fortran linked list library
This is attempt to create a minimalistic general-purpose doubly linked list library written in Fortran 2003+
XtalCalculator is a FORTRAN source package for computing the primitive and reciprocal lattice vectors for the user defined lattice parameters viz a,b,c,alpha,beta,gamma. It also computes the real and reciprocal cells volumes in cubic angstrom and cubic bohr.
Quantum transport for tight-binding and ab initio Hamiltonians
ANT.1D is a stand-alone quantum transport code for essentially one-dimensional setups described by tight-binding or ab initio Kohn-Sham Hamiltonians obtained from other codes working with atomic basis sets (Gaussian, Crystal,SIESTA). Interfaces with Crystal and Gaussian codes are available. Electrodes are described either by nanowires of finite thickness or Bethe lattice electrodes.
Quantum transport code based on Gaussian03/09
Atomistic NanoTransport (ANT) comprises a series of codes designed to compute electronic quantum transport with a broad range of applicability in nanoelectronics. ANT.Gaussian (or ANT.G for brevity) relies on the popular quantum chemistry code GAUSSIAN03/09 code with which interfaces in a seamless manner. Straightforwad use of ANT.G include the computation of the zero-bias conductance (or, alternatively, the electrical current under an applied bias voltage) of a variety of nanoscale systems such as molecular bridges or simply metallic atomic contacts as those created with scanning tunneling microscope or break junction techniques. The use of ANT.G may also be naturally extended to the computation of scanning tunneling spectroscopy and the simulation of scanning tunneling and electrostatic force microscopy.
Real Space Multigrid based electronic structure code.
News: V2.2.2 released on 10/14/2017 with minor bug fixes. News: V2.2 with performance enhancements, bug fixes and new features released on 06/26/2017. Sources are available with binaries to follow soon. News: V2.1 with many improvements released on 07/15/2016. 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.
Cellular Automata library for SUPercomputers (CASUP)
CASUP is a Cellular Automata (CA) library for HPC and supercomputers. It can be used in materials science (microstructure evolution, grain coarsening, fracture etc.), physics (Ising magnetisation) and for many other CA. If you use the library, please reference it as: A. Shterenlikht, L. Margetts, Three-dimensional cellular automata modelling of cleavage propagation across crystal boundaries in polycrystalline microstructures, Proc. Roy. Soc. A 471:20150039, DOI: http://dx.doi.org/10.1098/rspa.2015.0039. CASUP can be linked with FE (e.g. MPI FE library ParaFEM, http://parafem.org.uk) for a multi-scale multi-physics CA-FE framework. CASUP extensively uses Fortran 2008 and 2018 coarrays, as well as MPI, OpenMP and do concurrent. CASUP can be used with Cray, Intel and GCC/OpenCoarrays compilers. Scaling beyond 100,000 cores on Cray XC30 was demonstrated.
Parallel finite element analysis
ParaFEM is an open source platform for parallel finite element analysis. The source code and philosophy are documented in the text book Smith, Griffiths and Margetts, "Programming the Finite Element Method", 5th Edition, Wiley, 2014. The software is written in modern Fortran and uses MPI for message passing.
Fortran modules that facilitate several programming tasks
Library basicmod contains Fortran modules that facilitate several programming tasks