Carbon Fullerene and Capped Nanotube Generator
NanoCap is a generic application for the construction of low energy fullerene and capped nanotube structures. It provides an ideal tool to accompany the study of finite carbon molecules using computer simulation. The implementation involves a standalone application which includes a GUI and allows for dynamic visual inspection through 3D rendering. In addition, the NanoCap core libraries can be used in custom Python scripts that enabled the user to produce structures in bulk or to include the structure generation routines into pre-existing code.
Software for electromagnetic simulation
MaxFem is an open software package for electromagnetic simulation by using finite element methods. The package can solve problems in electrostatics, direct current, magnetostatics and eddy-currents. We have moved the installers to the MaxFEM website (see below). In order to improve MaxFEM, we will require you to fill out a simple form before downloading them.
A customized distribution of Code::Blocks IDE for Fortran language
Code::Blocks for Fortran is a customized distribution of the open-source Code::Blocks IDE which includes some enhancements for programming using Fortran language.
Cantera is a suite of object-oriented software tools for problems involving chemical kinetics, thermodynamics, and/or transport processes. It can be used from MATLAB, Python, C++, or Fortran.
SWAN is a third-generation wave model, developed at Delft University of Technology, that computes random, short-crested wind-generated waves in coastal regions and inland waters.
Generic data-assimilation toolbox written in java, with native (c and fortran) libraries for high performance computing. Provides tools to couple to your own model and a wide range of algorithms, ranging from parameter calibration to Kalman filters.
A shared memory parallel sparse matrix library including Sparse BLAS.
librsb is a library for sparse matrix computations featuring the Recursive Sparse Blocks (RSB) matrix format. This format allows cache efficient and multi-threaded (that is, shared memory parallel) operations on large sparse matrices. The most common operations necessary to iterative solvers are available, e.g.: matrix-vector multiplication, triangular solution, rows/columns scaling, diagonal extraction / setting, blocks extraction, norm computation, formats conversion. The RSB format is especially well suited for symmetric and transposed multiplication variants. On these variants, librsb has been found to be faster than Intel MKL's implementation for CSR. Most numerical kernels code is auto generated, and the supported numerical types can be chosen by the user at build time. librsb implements the Sparse BLAS standard, as specified in the BLAS Forum documents.
Graphic molecular dynamic package.
Molecular Graphics, Molecular Dynamics, Optimization, Quantum chemistry. Molecular model building. Explicit and implicit water models. http://www.biomolecular-modeling.com/Products.html
COmputational fluid dyNamics STRUctured grid CreaTor for 2D airfoils
Construct2D is a grid generator designed to create 2D grids for CFD computations on airfoils. The grids are generated in Plot3D format. The only required input file is the set of coordinates defining the airfoil geometry, using the same format as XFoil, the popular vortex-panel code for airfoil analysis. Construct2D can create grids with O topology (recommended for airfoils with a blunt trailing edge) or C topology (recommended for airfoils with a sharp trailing edge). Now available in version 2.0: hyperbolic grid generation to create higher quality grids in a fraction of the time compared to elliptic grid generation. Elliptic grid generation is still available also. Smooth airfoil surface spacing is handled automatically with user-controlled clustering parameters. Also included is a visualizer written in Python with matplotlib.
Simulation, analysis, and management of the movement of water
Please see the “Files” link above to download different versions. The One-Water Hydrologic Flow Model (MODFLOW-OWHM, MODFLOW-ONE) is an integrated hydrologic flow (IHM) model that is an enhanced fusion of multiple MODFLOW (MF) versions. While maintaining compatibility with existing MF versions, MF-OWHM includes: linkages for coupled heads, flows, and deformation; facilitation of self-updating models, additional observation and parameter options for higher-order calibrations; and redesigned code for faster simulations. MF-OWHM represents a complete IHM that fully links the movement and use of groundwater, surface water, and imported water for consumption by agriculture and natural vegetation on the landscape, and for potable and other uses. This provides the foundation needed to address integrated hydrologic problems such as evaluation of conjunctive-use alternatives, sustainability analysis, including potential adaptation and mitigation strategies, and best management practices.
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 library with the Abaqus user material subroutines UMAT/VUMAT
This library contains several of user material subroutines for implicit quasi-static (UMAT) and explicit dynamic (VUMAT) versions of the Abaqus solver. The Abaqus is a proprietary finite element (FE) code ( http://www.3ds.com/products-services/simulia/products/abaqus/). Users can write subroutines for use with the Abaqus. Linear elastic, isotropic hardening plasticity, Gurson-Tvergaard-Needleman (GTN), Rousselier constitutive models are provided. Quote this code as: A. Shterenlikht, N. A. Alexander, Levenberg-Marquardt vs Powell's dogleg method for Gurson-Tvergaard-Needleman plasticity model, Computer Methods in Applied Mechanics and Engineering 237-240:1-9 (2012). DOI: http://dx.doi.org/10.1016/j.cma.2012.04.018
is a molecular viewer & model builder for quantum chemistry programs. It has an interface with NWChem, CP2K and PC GAMESS/Firefly quantum programs. http://www.biomolecular-modeling.com/Products.html
This application is intended to be a tool for easy, almost automatic, creation and calculation of gear transmission finite element models. It consists of a geometry and mesh generator based on GMSH and a finite element model based on GETFEM++.
Polycrystalline evolution simulation library in Fortran 2008 coarrays
Cgpack is a Fortran 2008 library for simulating polycrystalline formation, deformation and fracture. The library uses coarrays and is suitable for HPC use. 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: 10.1098/rspa.2015.0039. The CGPACK library has been successfully linked with ParaFEM, https://sourceforge.net/projects/parafem/, http://parafem.org.uk - a BSD licensed highly scalable FE library. CGPACK can be used with Cray, Intel and GCC/OpenCoarrays, http://opencoarrays.org, compilers. If you are new to Fortran coarrays, have a look at our free coarrays course: http://coarrays.sf.net. CGPACK performance can be understood better with CrayPAT profiling and tracing tools on Cray systems, or with TAU: https://www.cs.uoregon.edu/research/tau/home.php
A Platform for Multiscale Analysis
This project is mainly focused on development of a platform suitable for multiscale analysis of solids. The initial development is aimed at coupling finite elements with atomistic models and the Arlequin method. The features are: Fully extensible, object oriented Fortran 2003 compliant Many features of the Fortran 2003 standard such as derived data types, type extension, abstract data types, generic procedures, type bound procedures are used to make a flexible and doable code. MPI parallel molecular dynamics with 3 potentials (LJ, EAM, MEAM ). This is based on WARP which is an old version of LAMMPS. To easily understand and work with molecular dynamics/mechanics with effective potentials Interface to several linear equation solvers (MKL, MUMPS, PSBLAS, SPARSKIT) An F03 interface for LAMMPS (C++ version). This is coupled to ABAQUS too. All the LAMMPS object are accessible through the F2003 interface and this is used to concurrently couple LAMMPS
CFD code using Arbitrary Lagrangian Eulerian algorithm.
Modeling and simulation tool for continuous and hybrid systems.
UPDATE: ----------- This repository is no longer maintained, the new version of the QSS Solver is available at: https://github.com/CIFASIS/qss-solver
A library to aid the transition from PGplot to PLplot in Fortran
PG2PLplot is a library that facilitates the transition from PGplot to PLplot with Fortran programs
Runge is an Interactive Solver for Systems of Differential Equations
Runge is an Interactive Solver for Systems of Ordinary Differential Equations. It solves initial value problem (aka Cauchy problem). Few advantages Runge provides: It's fast. It utilizes BLAS and LAPACK libraries optimized for modern multi-core processors. It's interactive. It allows you to start a solution by mouse click on a plane. It's precise. It uses Runge Rule to adjust step length to satisfy required precision on each step. It's effective. When it needs to compute derivatives (Jacobian matrix, for example) it does that analytically, i.e. without using numerical methods. It's portable. It works on Windows and Linux 32 and 64 bit and Mac OS X 64 bit. It's open. It allows you to implement and embed your own algorithms (aka "solvers"). It's easy to use. It allows to export results to MS Excel and MATLAB. It's multilingual. It currently supports Englis and Russian languages. It's free. It's distributed under the Boost Software License.
FLENS (Flexible Library for Efficient Numerical Solutions) is a C++ library for scientific computing. It can be considered as a very convenient and --- at the same time --- extremely efficient interface for BLAS and LAPACK. But it is much more than this
Mathematics software platform and script language
Hmd is a program for mathematical computations. It runs as an interactive environment as well as a script interpreter. Intended as a tool for numerical, applied mathematics, there is a basic engine for solving finite element models.
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.
Software bundle to provide development of the following softwares for simulating waves, currents, transport and mixing as well as sediment transport in coastal environments and hydraulic systems: LWBouss1D/2D BoussSand1D/2D OCTEAD FunSedi1D/2D
design short columns according to Egyptian code for practice 2007