Open Source Fortran Simulation Software

Software for pixelization, hierarchical indexation, synthesis, analysis, and visualization of data on the sphere. Please acknowledge HEALPix by quoting the web page http://healpix.sourceforge.net (or https://healpix.sourceforge.io) and publication: K.M. Gorski et al., 2005, Ap.J., 622, p.759 Full software documentation available at https://healpix.sourceforge.io/documentation.php Wiki Pages: https://sourceforge.net/p/healpix/wiki/Home Exchanging Data with HEALPix (in FITS files): https://sourceforge.net/p/healpix/wiki/Exchanging%20Data%20with%20HEALPix/ GDL and FL users should read https://sourceforge.net/p/healpix/wiki/HEALPix%20and%20GDL/

This is a collection of software modifications created to integrate NanoEngineer-1, PACKMOL and MSI2LMP for the purpose of easily creating molecular dynamics cells. NanoEngineer-1 is a molecular CAD software written by Nanorex and provides the user an easy way to create molecules, while the software modifications allow the user to type atoms using multiple force fields. PACKMOL can generate a random collection of molecules using the molecule templates from NanoEngineer-1 thus providing the initial MD cell. Modifications to PACKMOL allow the atom type data to be passed through to the MSI2LMP software. MSI2LMP creates a LAMMPS input file based on class I or class II force fields. MSI2LMP was modified to use numerically coded force field data generated by NanoEngineer-1. The MMP file format was extended and integrated into all three software applications. http://www.nanoengineer-1.net http://www.ime.unicamp.br/~martinez/packmol/ http://lammps.sandia.gov/

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.

RANSFOIL is a console program to calculate airflow field around an isolated airfoil in low-speed, subsonic, transonic or supersonic regime by numerically solving the Reynolds averaged Navier-Stokes (RANS) equations using mature computational fluid dynamics (CFD) method. As postprocess results, the aerodynamic parameters of the airfoil, e.g., lift coefficient and drag coefficient, can be integrated from the airflow distribution near wall boundary. In addition, the coupling between airflow and heat transfer and the effect of surface roughness on near wall flow are considered by this program, it can be used for engineering calculation of the friction drag and heat transfer coefficients on airfoil surface. RANSFOIL reads coordinates data from a 1D XYZ file which describes the grid points or control points on airfoil as only input, then outputs grid and solution files in 2D PLOT3D format to record grid coordinates and airflow data and a report file to show aerodynamic parameters.

Computational electromagnetics software. Uses surface Method of Moments, enhanced by using the Multilevel Fast Multipole Method. Code is parallelized and runs on laptops, desktops and clusters. The code precision is adjustable, it is fast and uses little memory. CFIE is used for closed surfaces, and EFIE for open PEC surfaces. Can function on GMSH, GiD and ANSYS meshes.

Do you work with chemical reactors? Are you curious about them? ASALI is the open-source code that you are looking for. Chemical reactor models, transport/thermodynamic properties of gases, equilibrium calculations. ASALI couples all these features with an user friendly graphical interface. Modeling chemical reactors has never been so easy.

EPx is a "modified version of EnergyPlus v. 7 or 8", a fork of the open-source building energy simulation engine developed by the US Department of Energy. This project also contains the canonical open-source releases of the unmodified EnergyPlus source code.

Hermes -- a set of libraries and tools for the support of scientific simulation and data archival.

Computational Fluid Dynamics (CFD) solver aimed to solve multi-physics problems on unstructured grids (inviscid Euler, Navier-Stokes flows, Heat transfer). F90 based. MPI, cgns, Metis libraries used.

http://loto.sourceforge.net/ hosts 4 projects of free software related to materials science and physics. They are loto, feram, compasses and xtalgrowth.

A spectral element method for 2D wave propagation and fracture dynamics, with emphasis on computational seismology and earthquake source dynamics.

Mendel’s Accountant is a biologically realistic, forward-time, parallel, numerical simulation program which models genetic change within a population, as affected by mutation and selection.

PUPIL (Program for User Package Interface and Linking), is a software environment that allows developers to link quickly and efficiently together multiple pieces of software in a fully automated multi-scale simulation. More specifically, it supports QM/MM MD simulations where the user might choose among any of the different MD engines and QM engines, which are connected to PUPIL as external programs through a tiny specific interface. One of the main advantages here is that the user can use most of the functionalities that may have those external programs interfaced without the necessity to be reimplemented again on independent interfaces. In fact, this simulation interface concentrates all the common code involved in the coupling terms of the QM/MM approach.

A Suite of Programs implementing a fast approach to the Debye Function Analysis (DFA) of powder diffraction data from nanocrystalline and/or non-ordered materials. See J. Appl. Cryst. 2015, 48, 2026-2032

FDS and Smokeview Development has moved to http://fire.nist.gov/fds please update your bookmarks.

The collection MICROMECHANICS (micromechanics.zip) includes: (1) lecture notes (microbook.pdf) on the analysis of heterogeneous materials and homogenization, and (2) source codes (microcode.tar.bz2) that accompany the computational exercises in Part II of the notes. Instructions on using the codes are given in the README file of each exercise. Further instructions can be found in the file microcode.tar.bz2. The MATLAB codes are used for visualization, evaluating analytical bounds and estimates as well as in the generation of digital and particulate microstructures. The Fortran codes are based on the finite element method in linear and nonlinear settings, the latter capable of finite deformations with damage. The underlying theory is outlined in the lecture notes. -- İlker Temizer Assistant Professor Department of Mechanical Engineering Bilkent University 06800 Bilkent, Ankara Turkey

PDSTRIP is a hydrodynamic strip code for seakeeping. It computes ship motions for monohulls including sailing boats. PDSTRIP has been abandoned by its initiators, who do not wish to be contacted with use questions. The position of maintainer is vacant.

A complete OpenCascade based MESH framework.Note this is not the original SALOME SMESH project but an effort to create a standalone mesh framework based on the existing one from SALOME project, plus adding WIN32 compatibility.

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

MCF - Models Construct Framework

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.

DBSolveOptimum is a stand-alone software tool for the construction and analysis of mathematical models of biological systems. It is a succession and extension of DBSolve 5 and DBSolve 7, which were popular tools for systems biology. In addition to the capabilities of these software packages, DBSolveOptimum is implemented with new tools for extended data analysis and multiple simulations, which are important for simulation of virtual clinical trials and application of modern modeling techniques, like quantitative systems pharmacology, to problems arising in drug research and development. By this time, DBSolveOptimum has been successfully tested and applied for the development and analysis of both systems pharmacology and conventional PK/PD models of drugs. It is free for academic and industrial use. http://www.ncbi.nlm.nih.gov/pubmed/20698988

A reactor solver which uses stochastic particle methods to model particle population balances. This code is developed by the CoMo group in the chemical engineering department at the university of Cambridge (como.cheng.cam.ac.uk).

UPDATE: ----------- This repository is no longer maintained, the new version of the QSS Solver is available at: https://github.com/CIFASIS/qss-solver

Development of new data assimilation techniques for ocean models