\(\renewcommand{\AA}{\text{Å}}\)

fix heat/flow command

Syntax

fix ID group-ID heat/flow style values ...

ID, group-ID are documented in fix command
heat/flow = style name of this fix command

one style with corresponding value(s) needs to be listed

style = constant or type
  constant = cp
    cp = value of specifc heat (energy/(mass * temperature) units)
  type = cp1 ... cpN
    cpN = value of specifc heat for type N (energy/(mass * temperature) units)

Examples

fix 1 all heat/flow constant 1.0
fix 1 all heat/flow type 1.0 0.5

Description

Perform plain time integration to update temperature for atoms in the group each timestep. The specific heat of atoms can be defined using either the constant or type keywords. For style constant, the specific heat is a constant value cp for all atoms. For style type, N different values of the specific heat are defined, one for each of the N types of atoms.

Restart, fix_modify, output, run start/stop, minimize info

No information about this fix is written to binary restart files. None of the fix_modify options are relevant to this fix. No global or per-atom quantities are stored by this fix for access by various output commands. No parameter of this fix can be used with the start/stop keywords of the run command. This fix is not invoked during energy minimization.

Restrictions

This fix requires that atoms store temperature and heat flow as defined by the fix property/atom command.

Default

none