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fix property/atom/tracer command

Syntax:

fix id group property/atom/tracer region_mark region-ID mark_step s keyword value ... 

Examples:

fix tracer all property/atom/tracer region_mark mark mark_step 10000 marker_style dirac check_mark_every 10 

Description:

Fix property/atom/tracer marks particles using either a Dirac delta impulse (default) or a Heaviside impulse, as specified by the marker_style keyword. Particles are marked if they are inside the region specified by the region_mark keyword. Using the Dirac impulse means that all the particles which are in the region at the time-step specified by the mark_step keyword are marked. Using the Heaviside impulse means that all the particles which pass by the specified region after the specified time-step are marked.

Keyword check_mark_every can be used to control how often the region is checked. Typically, this is useful when the heaviside option is used, because you may not want to check each particle each time-step. However, be careful not to choose this value too large, in this case you could skip particles passing through the region.

It is useful to combine this command with a compute nparticles/tracer/region command to compute residence time distributions.

IMPORTANT NOTE: Using compute nparticles/tracer/region can change the tracer value (keyword reset_marker.)

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

Information about this fix is written to binary restart files .

This fix computes a per-atom vector (the marker) which can be accessed by various output commands. . This fix also computes a global scalar indicating how many particles were marked since the last time the global scalar was computed. This scalar can also be accessed by various output commands. .

Restrictions:

Currently, this feature does not support multi-sphere particles.

Related commands:

compute nparticles/tracer/region

Default:

marker_style = dirac, check_mark_every = 10