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fix_modify AtC filter command

Syntax

fix_modify <AtC fixID> filter <on|off|equilibrate>

  • AtC fixID = ID of fix atc instance

  • filter = name of the AtC sub-command

  • on or off or equilibrate = Select state of filter

Examples

fix_modify AtC 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 use with these specific transfers: thermal, two_temperature

Default

off