Showing 124 open source projects for "drcom-for-linux"

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  • Red Hat Enterprise Linux on Microsoft Azure Icon
    Red Hat Enterprise Linux on Microsoft Azure

    Deploy Red Hat Enterprise Linux on Microsoft Azure for a secure, reliable, and scalable cloud environment, fully integrated with Microsoft services.

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    Build enterprise-ready GenAI experiences with MongoDB Atlas

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  • 1
    VASPKIT
    Basic features: 1. Generate KPOINTS, POTCAR and INCAR for a given POSCAR file; 2. Elastic-constants using stress-strain or energy-strain methods; 3. Equation-of-state fitting; 4. Suggested k-paths for a given crystal structure; 5. Optical adsorption coefficient; 6. Band structure unfolding; 7. Fermi surface; 8. Density-of-states and band-structure; 9. Charge/spin density, Charge density difference; 10. Vacuum level and work function; 11. Wave-function...
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    Downloads: 871 This Week
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  • 2
    Elmer finite element software

    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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    Downloads: 250 This Week
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  • 3
    Elk
    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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    Downloads: 104 This Week
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  • 4
    Atomes

    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. Atoms is a toolbox developed to analyze, to visualize and to create/edit three-dimensional atomistic 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...
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    Downloads: 12 This Week
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  • 5
    GWtool

    GWtool

    Simple tools for working with gravitational waves

    GWtool: simple tools for working with gravitational waves
    Downloads: 8 This Week
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  • 6
    loto
    http://loto.sourceforge.net/ hosts 4 projects of free software related to materials science and physics. They are loto, feram, compasses and xtalgrowth.
    Downloads: 5 This Week
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  • 7
    CPSeis is the open-source version of ConocoPhillips' former seismic processing system. Uses Fortran 90 and C/C++ layers for I/O. The new system was designed using an MPI-parallel model and works well on Linux clusters or on individual workstations.
    Downloads: 4 This Week
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  • 8
    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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    Downloads: 3 This Week
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  • 9
    MaxFEM

    MaxFEM

    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. Since version 0.4.0, MaxFEM requires Python 3. 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.
    Downloads: 2 This Week
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    Deliver secure remote access with OpenVPN.

    OpenVPN is here to bring simple, flexible, and cost-effective secure remote access to companies of all sizes, regardless of where their resources are located.
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  • 10
    Zgoubi is a ray-tracing code. Since 1972 it pushes charged particles around accelerators and along beam lines, by step-wise resolution of the Lorentz force equation - and their spins by resolution of Thomas-BMT differential equation. Zgoubi is used for charged particle and beam dynamics simulations, and for accelerator and beam line design. It can simulate hadron and lepton beam and polarization dynamics in a large variety of accelerators (storage ring, synchrotron, cyclotron,...
    Downloads: 2 This Week
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  • 11
    CAMPARI

    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...
    Downloads: 2 This Week
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  • 12
    ransfoil

    ransfoil

    console to calculate airflow around an airfoil based on RANS approach

    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...
    Downloads: 1 This Week
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  • 13
    The MetCal/SPA package provides diagnostic resources for users and developers of meteorological apps. The Shared Procedure Archive is a dynamic set of file I/O, analysis routines and APIs for third party packages accessible through the MetCal GUI.
    Downloads: 0 This Week
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  • 14
    astroTools

    astroTools

    Command-line tools for astronomy and astrophysics

    Command-line tools for astronomy and astrophysics, written in Fortran.
    Downloads: 0 This Week
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  • 15
    PUPIL
    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...
    Downloads: 1 This Week
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  • 16
    analyseMCMC

    analyseMCMC

    Analyse output from MCMC codes like SPINspiral and lalinference_mcmc

    analyseMCMC post-processes, analyses and plots output from the LIGO/Virgo gravitational-wave inspiral parameter-estimation codes SPINspiral and lalinference_mcmc.
    Downloads: 0 This Week
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  • 17
    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...
    Downloads: 0 This Week
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  • 18
    LAMMPS

    LAMMPS

    Large-scale Atomic/Molecular Massively Parallel Simulator

    LAMMPS is a classical molecular dynamics simulator designed for parallel machines. It can model atomic, polymeric, biological, metallic, or mesoscale systems using a variety of force fields and boundary conditions and is easy to modify or extend.
    Downloads: 2 This Week
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  • 19
    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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    Downloads: 50 This Week
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  • 20

    freesrs

    python library for shock response spectrum (SRS) analysis.

    The shock response spectrum (SRS) allows to estimate transient acceleration signals in terms of a maximum response of a dynamic vibration system. Its origin probably dates from civil engineering and the problem of seismic excitations, i.e. earthquake response of buildings, see Clough Penzien 1975. The SRS is a spectrum, i.e. a curve giving the maximum acceleration response depending on frequency. It is derived from a 1-mass-spring-damper vibration system being excited by a base excitation,...
    Downloads: 0 This Week
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  • 21

    IRBEM-LIB

    Project has moved to github https://github.com/PRBEM

    *************************************************************** ********** IRBEM-LIB WAS MOVED TO GITHUB ********** ********** https://github.com/PRBEM ********************* *************************************************************** IRBEM-LIB provides routines to compute magnetic coordinates for any location in the Earth's magnetic field, to perform coordinate conversions, to evaluate geophysics/space-physics models, and to propagate orbits in time.
    Downloads: 1 This Week
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  • 22
    mesa
    MESA: Modules for Experiments in Stellar Astrophysics -- a set of thread-safe fortran 95 libraries for stellar astrophysics, including physics (e.g., eos, opacities, nuclear nets) and algorithms (e.g., ODE solvers). Available by svn checkout or as zip file. See project webpage (http://mesa.sourceforge.net/).
    Downloads: 9 This Week
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  • 23
    RMGDFT

    RMGDFT

    Real Space Multigrid based electronic structure code.

    News: active RMG development has moved to github https://github.com/RMGDFT News: V4.1.0 released on 09/29/2020 News: V4.0.0 released on 09/01/2020 with major updates. News: V3.0.0 released on 06/09/2018 with major updates. News: V2.2.2 released on 10/14/2017 with minor bug fixes. News: V2.2 with performance enhancements, bug fixes and new features released on 06/26/2017. Sources are available with binaries to follow soon. News: V2.1 with many improvements released on...
    Downloads: 0 This Week
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  • 24
    APBS

    APBS

    Biomolecular electrostatics software

    This software has moved to http://www.poissonboltzmann.org/.
    Downloads: 0 This Week
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  • 25
    Rocstar Multiphysics Application

    Rocstar Multiphysics Application

    Parallel coupled multiphysics simulation application

    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...
    Downloads: 0 This Week
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