[lammps-users] integrator for NVT ensemble

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1

Dear all,

Just a quick (and most likely very basic) question: what is the integrator LAMMS uses when the commands run_style verlet and fix NVT are given? This question arises from the fact that, if I am not mistaken, the original velocity verlet scheme does not solve the Nose-Hoover thermostat.

Thanks,

Igor

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If you do fix style NVE, then you are doing standard velocity-Verlet.
If you do fix style NTV, then you are doing Nose Hoover NVT in a velocity-Verlet
framework. I.e. NH-NVT can be done in other integration schemes as well.

Steve