Examples of LangevinLeapFrog


Examples of stallone.dynamics.LangevinLeapFrog

        return(res);
    }

    public IIntegratorThermostatted langevinLeapFrog(IEnergyModel model, IDoubleArray masses, double dt, double gamma, double kT)
    {
        IIntegratorThermostatted res = new LangevinLeapFrog(dt, gamma, kT);
        res.setEnergyModel(model);
        res.setMasses(masses);
        res.setV(dyn.maxwellBoltzmannVelocities(masses, kT));
        return(res);
    }
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