fix npt cauchy command — LAMMPS documentation This means you can change the attributes of these fix’s temperature or pressure via the compute_modify command Or you can print this temperature or pressure during thermodynamic output via the thermo_style custom command using the appropriate compute-ID
The box doesnt shrink using npt ensemble? | ResearchGate By default NPT simulations may try to adapt all box dimensions simultaneously and may also not change the ratios between dimensions Look up the respective LAMMPS settings to allow anisotropic
fix command — LAMMPS documentation - iSimuLy Note that this operation also wipes out any additional changes made to the old fix via the fix_modify command The fix modify command allows settings for some fixes to be reset See the doc page for individual fixes for details
fix_modify command — LAMMPS documentation - Institut Pasteur Modify one or more parameters of a previously defined fix Only specific fix styles support specific parameters See the doc pages for individual fix commands for info on which ones support which fix_modify parameters The temp keyword is used to determine how a fix computes temperature
lammps doc src fix_npt_cauchy. rst at develop - GitHub fixedpoint values = x y z x,y,z = perform barostat dilation contraction around this point (distance units) This command performs time integration on Nose-Hoover style non-Hamiltonian equations of motion which are designed to generate positions and velocities sampled from the isothermal-isobaric (npt) ensembles