aselimov/CAC
1
0
Fork 0
Code Issues Pull requests Projects Releases Packages Wiki Activity Actions
CAC/docs/Commands/thermo_style.md

738 B
Raw Permalink Blame History

thermo_style

thermo_style args

Inputs

args - List of thermo_style options. Acceptable options are listed below:

Examples

thermo 50

Descriptions

The thermo_style command sets the thermo output for CAC. By default the thermostyle command only outputs the potential energy and the global force norm. Acceptable options for thermo_style are listed below:

  • pe: potential energy
  • fnorm: global force norm
  • temp: temperature
  • temp_c: temperature in CG
  • temp_a: temperature in atoms
  • ke: kinetic energy
  • ke_c: kinetic energy in CG
  • ke_a: kinetic energy in atoms
  • lx, ly, lz: Box dimensions in x, y, z respectively
  • px, py, pz: Box pressure in x, y, z respectively