Search Results for "gnu science"
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Showing 239 open source projects for "gnu science"
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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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Elmer finite element software
Open source finite element software for multiphysical problems
Elmer is a finite element software for numerical solution of partial differential equations and multiphysical problems. It includes models of structural mechanics, fluid dynamics, heat transfer, electromagnetics etc. Elmer home is www.csc.fi/elmer -
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HEALPix
Data Analysis, Simulations and Visualization on the Sphere
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):... -
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Free DELTA
Software tools for processing taxonomic descriptions in DELTA format
The Free DELTA Project is a free, open-source, software alternative for a generic system to the processing of taxonomic descriptions based on the DELTA (DEscription Language for TAxonomy) format. -
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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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HYPE
hydrological model for simulation of water and water quality over time
Please go to project home (https://hypeweb.smhi.se/model-water/) or wiki-pages (http://hype.smhi.net/wiki/doku.php?id=start) for more information. The hydrological model HYPE is developed at the Swedish Meteorological and Hydrological Institute (SMHI). The model simulates water, nutrients and other substances in small and large river catchments. Included in the project is HYSS, which is needed to run the model. It handles input and output and the simuation over time. -
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XDrawChem
XDrawChem is an application for chemistry drawing and analysis.
XDrawChem is an application for drawing and analyzing chemical structures and reactions. Please visit the website for full details. Download source and binary releases here, and clone the source from GitHub at the external link above. -
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ERmod
Approximate solvation free energy calculator
ERmod (Energy Representation Module) is a program to calculate the solvation free energy based on the energy representation method (J. Chem. Phys. 113, 6070 (2000)). The program allows users to calculate the solvation free energy to arbitrary solvents, including inhomogeneous systems, and can run in cooperation with state-of-art molecular simulation software, such as LAMMPS, GROMACS and/or AMBER. -
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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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FreeEOS is a Fortran library for calculating the equation of state using an efficient free-energy minimization technique that is suitable for physical conditions in stellar interiors.
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libSUFR
A library containing Some Useful Fortran Routines
libSUFR contains Some Useful Fortran Routines that I wrote for my own use, but that may also be useful for others. At the moment, it also "SUFRs" from the fact that Fortran module files are compiler-dependent... -
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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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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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http://loto.sourceforge.net/ hosts 4 projects of free software related to materials science and physics. They are loto, feram, compasses and xtalgrowth.
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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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libTheSky
Fortran library to compute positions of celestial bodies
libTheSky is a Fortran library to compute positions of celestial bodies (Moon, planets, stars) and events (conjunctions, eclipses). It forms the core of the software that produces the Dutch popular-astronomy website http://hemel.waarnemen.com -
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The Ocean Land Atmosphere Model (OLAM) is a new global general circulation/climate prediction model that will allow to “nest down” to any desired resolution using a flexible mesh refinement technique that works on either triangular or hexagonal g
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GWtool
Simple tools for working with gravitational waves
GWtool: simple tools for working with gravitational waves -
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PhiPsi
An eXtended Finite Element Method (XFEM) Software.
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... -
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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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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.
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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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astroTools
Command-line tools for astronomy and astrophysics
Command-line tools for astronomy and astrophysics, written in Fortran. -
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atomes
Analysis, visualization, edition of 3D atomistic models
atomes is a Free (Open Source) cross-platform software licensed under the terms of the Affero GPL v3+ license. atomes is a toolbox developed to analyze, to visualize and to create/edit 3D atomic scale models. atomes also provides an advanced input preparation system for further calculations using well known molecular dynamics codes: - Classical MD : DL-POLY and LAMMPS - ab-initio MD : CPMD and CP2K - QM-MM MD : CPMD and CP2K atomes is developed by Dr. Sébastien Le Roux, research...
