Regarding some question on nose hoover paper

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1

Hi,

i want ask some question on nose paper. In nose 83 paper they define one parameter “S”. May i known what exact initial value using in Lammps ?

Another question is suppose i restart script file after 10 thousand step will we need “S” value in restart file?

Regards

Krishna

2

The fix nvt (NH) info is stored in a restart file - see the doc page for fix nvt

(at the bottom). Re: details of how eqs from the paper are implemeneted
in the code, you’ll need to look in the code.

Steve