fix_modify AtC filter

syntax

fix_modify AtC filter <on | off | equilibrate>

• on | off (keyword) = turns filter on or off
  
• equilibrate = runs dynamics without filtering but initializes filtered quantities

examples

fix_modify atc transfer filter on

description

Filters the MD dynamics to construct a more appropriate continuous field. Equilibrating first filters the time derivatives without changing the dynamics to provide a better initial condition to the filtered dynamics

restrictions

only for be used with specific transfers: thermal, two_temperature

related

fix_modify AtC filter scale
fix_modify AtC equilibrium_start

default

off