Search Results for "script-api.jar"

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Showing 2 open source projects for "script-api.jar"

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    LAMMPS

    LAMMPS

    Public development project of the LAMMPS MD software package

    ...It supports many interaction models, including pair potentials, many-body potentials, reactive force fields, bonded interactions, long-range electrostatics, and user-extendable packages. LAMMPS is script-driven, so users can define simulation geometry, force fields, integration methods, output, and analysis behavior through input files. Its main value is combining broad scientific flexibility with scalable parallel performance for complex molecular and mesoscale simulations.
    Downloads: 3 This Week
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    PyBrella

    Python script to automate umbrella sampling with AMBER

    PyBrella is a script designed to automate the umbrella sampling process, using the AMBER molecular dynamics package.
    Downloads: 0 This Week
    Last Update:
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