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    QMCF2

    QMCF2

    Quantum Mechanical Charge Field - Molecular Dynamics

    QMCF2 is a molecular-simulation package for molecular dynamics, Monte Carlo, geometry optimization, molecular mechanics, and combined quantum-mechanical/molecular-mechanical calculations. The source includes force-field, electrostatics, constraints, thermostats, pressure control, water models, QMCF/QM-MM, external-QM interfaces, conversion tools, and analysis utilities. Interfaces are available for xTB, DFTB+, Gaussian, Turbomole, CRYSTAL, and ASE-based workflows. External programs must be installed separately. Installation: open the Code tab and download or clone the complete repository. On Linux, open a terminal in `qmcf2_installer` and run: `python3 qmcf2_installer.py3` Review the detected compilers, libraries, paths, and warnings, then start the build. ...
    Downloads: 2 This Week
    Last Update:
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    jCircuits

    jCircuits

    An easy-to-use Simulation of Hardware-Gates

    ...There are also 2 Applet-Versions - the full Version and a only-Display-Version ---------- USEFUL TIPS: ---------- Always enter the Edit-Mode (swiss knife) bevor editing something ;) [!! IMPORTANT !!] Try out the examples ("Components"-Tab -> Choose a Circuit -> Add Button) Leave the Edit-Mode to control interactive elements Press >>Alt<< to draw a Selection-Box Press >>Shift<< to complement your Selection
    Downloads: 2 This Week
    Last Update:
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