Difference between uniaxial pressure and giving values for all the stress tensors

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1

Hi Axel,

I am studying the phase transition of crystal under NST ensemble. There are two ways to give the pressure

  1. Uniaxial strain rate
  2. giving the tensor values such as

“ fix 1 all npt temp 223 223 100 x 1.0 1.0 1000 y 1.0 1.0 1000 z 1.0 1.0 1000 xy 1.0 1.0 1000 xz 1.0 1.0 1000 yz 1.0 1.0 1000”

May I know what exactly is the difference between these two?

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2

Please look it up in the LAMMPS manual. That is what it is for. Axel.