Search Results for "fortran code"
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Showing 94 open source projects for "fortran code"
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DL_POLY
General purpose classical molecular dynamics (MD) simulation software
DL_POLY is a general-purpose classical molecular dynamics simulation package developed at Daresbury Laboratory. It has evolved from older replicated-memory designs into a distributed-memory code suitable for modern parallel computing. The software can be built in serial form or with MPI for larger simulations. It is used for molecular modeling in chemistry, physics, materials science, and condensed-matter research. DL_POLY provides a mature simulation environment for studying atomic and... -
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An all-electron full-potential linearised augmented-planewave (FP-LAPW) code. Designed to be as developer friendly as possible so that new developments in the field of density functional theory (DFT) can be added quickly and reliably.
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evTools
Tools to analyse output from the stellar-evolution code ev/STARS/TWIN
The evTools package provides tools to manipulate and display output from the binary stellar-evolution code ev (also known as STARS and TWIN). -
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ASALI
ASALI is an open-source code for chemical engineers
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. -
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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.
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Towhee is a Monte Carlo molecular simulation code originally designed for the prediction of fluid phase equilibria using atom-based force fields and the Gibbs ensemble with particular attention paid to algorithms addressing molecule conformation sampling.
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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.
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librsb
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... -
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Fosite - advection problem solver
numerical simulation code for solving transport equations in 1D/2D/3D
...The underlying numerical solution method belongs to the family of unsplit conservative finite volume TVD schemes. The method is 2nd order accurate in space and uses high order Runge-Kutta and multistep schemes for time evolution. In addition to the pure advection code several source terms have been implemented including viscous diffusion and gravitational acceleration. Fosite is written with object-oriented patterns in Fortran 2003 and follows the Structure of Arrays (SoA) layout, operating on generic field datatypes. This allows for high performance on modern architectures (SIMD). It is parallelized and vectorized. ... -
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MOSSCO
Modular System for Shelves and Coasts
The Modular System for Shelves and Coasts (MOSSCO) is a coupling framework for Earth System Models. It helps users to integrate their own numerical models with other developments. Quick Start: git clone git://git.code.sf.net/p/mossco/setups mossco-setups git clone git://git.code.sf.net/p/mossco/code mossco-code cd mossco-code cat QuickStart.md or read online https://sf.net/p/mossco/code/ci/master/tree/QuickStart.md Beware: this is alpha software, expect... -
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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...
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SWASH is a general-purpose numerical tool for simulating unsteady, non-hydrostatic, free-surface, rotational flow and transport phenomena in coastal waters as driven by waves, tides, buoyancy and wind forces. It provides a general basis for describing wave transformations from deep water to a beach, port or harbour, complex changes to rapidly varied flows, and density driven flows in coastal seas, estuaries, lakes and rivers.
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CAMPARI
Software for molecular simulations and trajectory analysis
We are proud to introduce version 5 of CAMPARI. We have added a number of new features, most notably a Python interface for interpreting user-supplied code (with the help of ForPy), a novel trajectory storage standard (with the help of libpqxx/PostgreSQL), and a module for performing transition path theory. Naturally, CAMPARI continues to provide the reference implementation of the ABSINTH force field paradigm and implicit solvation model. CAMPARI is a joint package for performing and... -
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Ultrashort Pulse Propagator
A powerful simulation for designing femtosecond lasers and amplifiers.
This is a simulation package developed for numerical simulation of ultrashort pulse propagation in optical media and pulse generation from mode-locked lasers. Although the code is primarily intended for investigations of fiber links, fiber amplifiers and fiber lasers, it can be applied to any other setting for which the governing equiations are valid. The physics included in the code is based on a generalized nonlinear Schrödinger equation, including higher order dispersion, stimulated Raman... -
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ELPA_2022.05.001
Branch clone of 2022.05.001 version
The ELPA library provides highly efficient and highly scalable direct eigensolvers for symmetric (hermitian) matrices. Branch clone of the ELPA library, 2022.05.001 version. No changes are introduced, no intention to modify the code. Cloned in case the repository at elpa.mpcdf.mpg.de becomes inaccessible. Developed by Max Planck Computing and Data Facility, LGPL v3 license -
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RINGS "Rigorous Investigation of Networks Generated using Simulations" is a scientific code developed in Fortran90/MPI to analyze the results of molecular dynamics simulations. Its main feature is the analysis of the connectivity using ring statistics.
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CalculiXforWin
Open-Source Multiphysics FEA (FEM) Package
CalculiX Binaries for MS Windows, made with CYGWIN and ARPACK libraries. CalculiX is most popular FEA open-source package (like Code-Aster and Elmer-FEM). it is comparable in features with most known commercial packages like ANSYS, NASTRAN, Abaqus, etc. Good for structural, mechanical, thermal and fluid applications (trusses, plates, frames, shells, solid bodies). It has powerful nonlinear capabilities (including tension/compression only material like concrete) and most types of analysis... -
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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...
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NESSIE is a modern first-principle calculation software that can adequately address the need for ever-higher levels of numerical accuracy and high-performance in large-scale electronic structure simulations, as well as pioneer the fundamental study of quantum many-body effects in a large number of emerging nanomaterials. NESSIE is an electronic structure code that uses a real-space FEM discretization and domain-decomposition (DD) to perform all-electron ground-state DFT and real-time...
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TPLS
High Resolution Direct Numerical Simulation (DNS) of Two-Phase Flows
TPLS is a powerful and efficient 3D Direct Numerical Simulation (DNS) flow solver to simulate multiphase flows at unprecedented detail, speed and accuracy. This flow solver has been developed by Lennon Ó Náraigh (Mathematical Sciences, University College Dublin), Prashant Valluri (Engineering, University of Edinburgh), David Scott, Toni Collis and Iain Bethune (EPCC at the University of Edinburgh) and Peter Spelt (Université de Lyon1, Claude Bernard) under the aegis of several HECToR /... -
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giza
A scientific plotting library for C/Fortran built on cairo
A 2D scientific plotting library built on cairo. Provides uniform output to pdf, ps, png and X-Windows. Written in C with no dependencies (other than cairo) as a direct replacement for PGPLOT. -
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HostDesigner
General purpose de novo molecular design software
...Download includes User's Manual, HostDesigner 4.3 source code (in Fortran), data files, example input, HDViewer executables for MacOS, Linux, and Windows, and mengine source code (in C). HostDesigner was developed and posted by author Dr. Benjamin P Hay -
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As of 2020, this project has moved. See https://mesastar.org. Release versions can be found on Zenodo at https://doi.org/10.5281/zenodo.2602941. The code is now hosted on GitHub at https://github.com/MESAHub/mesa. You can find the documentation at https://docs.mesastar.org/.
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progrep
Utility to show live progress, status & stats for running simulations
...OpenMP/MPI) jobs. progrep can also report for jobs running on remote hosts, e.g. jobs running on Linux Clusters. progrep works in client-server model. The server can be installed in your simulation source code with only 4 extra lines (API). When the progrep command is invoked, it queries this server as a client. progrep does not interfere with or slow down your simulation when not invoked. Even when invoked, the overhead is insignificant. Out of the box, the API works with Fortran/C/C++ code. See Wiki/README for details. -
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OzGIS free open-source mapping system
Analysis and display of Census, business, government attribute data
OzGIS is an extensive mapping system for the analysis and display of geographically referenced data. Map data are downloaded from Census bureaux and map agencies or extracted from your own databases. The system can be used to to support management decisions associated with, for example, government planning, marketing, sales, site and personnel location, advertising and research. Systems for Windows, Mac and Ubuntu, source code, sample data files and manuals are included. DOWNLOAD to...
