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/

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.

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

Zgoubi is a raytracing code. Since 1972 it pushes charged particles through accelerators and beam lines, by stepwise solution of Lorentz force equation - and their spins via Thomas-BMT differential equation. Zgoubi simulates beam dynamics and polarization in a variety of accelerators (storage ring, synchrotron, cyclotron, betatron, microtron, FFAG, multi-pass ERL, etc) and optical systems (beam lines, magnetic and electrostatic optical components, time-of-flight and mass spectrometers, etc). The code includes built-in fitting procedures with a wide variety of constraints; stochastic SR energy loss; the tracking of synchrotron radiation (SR) Poynting vector; space charge models; various Monte Carlo procedures, etc. Contact: francoisgmeot@gmail.com Documentation (History of accelerators that zgoubi deals with, theory, tutorials): https://link.springer.com/book/10.1007/978-3-031-59979-8 https://link.springer.com/book/10.1007/978-3-031-16715-7, Chap. 14.

This compact function parser module written in Fortran95 is intended for applications where a set of Fortran-style mathematical expressions is specified at runtime and is then evaluated for a large number of variable values.

PySCeS is the Python Simulator of Cellular Systems. For a network of coupled reactions it does a stoichiometric matrix analysis, calculates the time course and steady state, and does a complete control analysis.

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.

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.

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.

PhiPsi is a 2D and 3D computational solid mechanics program, which involves the extended finite element method (XFEM), as well as the finite element method (FEM). PhiPsi is written in Fortran and compiled using the GNU Fortran compiler (gfortran). PPView is a visualization tool for PhiPsi. PPView can be used to import Abaqus inp file, view the model defined in the PhiPsi keywords file (*.kpp), edit PhiPsi keywords file, perform a PhiPsi simulation, and view the simulation result files generated by PhiPsi. PPView contains the latest executable program of PhiPsi. Features of PhiPsi: ○ Supported analysis type: 2D, 3D static analysis; 2D, 3D hydraulic fracturing analysis; 2D, 3D dynamic analysis; and 2D field problems analysis. ○ Support as many as 1000 fractures, voids and inclusions. ○ Intersection of 2D and 3D fractures, intersection of fracture and voids or inclusion. ○ Keywords file support with parameter definition and four operations (+, -, *, and /). ○ Other features.

This library contains several of user material subroutines for implicit quasi-static (UMAT) and explicit dynamic (VUMAT) versions of the Abaqus solver. The project web site: http://abumpack.sf.net. 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

Rocstar is a multiphysics simulation application designed to do fluid-structure interaction (FSI) across moving, reacting interfaces. Rocstar couples multiple domain-specific simulation packages and disparately discretized domains and provides several simulation-supporting services including conservative and accurate data transfer, surface propagation, and parallel I/O. Rocstar is MPI parallel and routinely executes large simulations on massively parallel platforms. Rocstar was originally developed at the University of Illinois Center for Simulation of Advanced Rockets (CSAR) under Department of Energy ASCI funding. Ongoing development of Rocstar is conducted by Illinois Rocstar LLC with company IR&D and continued DOE SBIR funding.

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.

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

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

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

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.

Pydusa is a package for parallel programming using Python. It contains a module for doing MPI programming in Python. We have added parallel solver packages such as Parallel SuperLU for solving sparse linear systems.

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.

Development of new data assimilation techniques for ocean models

Sempy is a Python package for the solution of partial differential equations using the spectral element method.

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

CFD code using Arbitrary Lagrangian Eulerian algorithm.

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.