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Showing 6 open source projects for "lammps"

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    Assembled is the only unified platform for staffing and managing your human and AI support team.

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  • 1
    atomes

    atomes

    Analysis, visualization, edition of 3D atomistic models

    ...atomes 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 Roux, research engineer for the CNRS Dr. Sébastien Le Roux works at the Institut de Physique et Chimie des Matériaux de Strasbourg.
    Downloads: 13 This Week
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  • 2

    ERmod

    Approximate solvation free energy calculator

    ...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.
    Downloads: 11 This Week
    Last Update:
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  • 3

    Chemical Trajectory Analyzer

    A software package for processing and analyzing chemical trajectories

    ChemTraYzer creates reaction models from molecular dynamics simulations. It's available as open software (MIT license). Please find a full description @ https://www.ltt.rwth-aachen.de/cms/LTT/Forschung/Forschung-am-LTT/Model-Based-Fuel-Design/Aktuelle-Projekte/~kqbf/ChemTraYzer/lidx/1 M.Döntgen, M.-D.Przybylski-Freund, L.C.Kröger, W.A.Kopp, A.E.Ismail, K.Leonhard, "Automated Discovery of Reaction Pathways, Rate Constants, and Transition States Using Reactive Molecular Dynamics...
    Downloads: 1 This Week
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  • 4

    Molecular Dynamics Studio

    Molecular Dynamics Cell Construction

    ...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/
    Downloads: 18 This Week
    Last Update:
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  • Stigg | SaaS Monetization and Entitlements API Icon
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    For developers in need of a tool to launch pricing plans faster and build better buying experiences

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  • 5
    This project aims at providing a user package for the molecular dynamics software LAMMPS, which allows the complete simulation to run on a GPU. Additional information and svn access to "bleeding etch" code can be found on the project website below.
    Downloads: 0 This Week
    Last Update:
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  • 6
    این میلینگ لیست جهت بحث و بررسی و همچنین پرسش و پاسخ درباره نرم افزار لمپس ایجاد شده است.
    Downloads: 0 This Week
    Last Update:
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