overlap command

Syntax

compute ID group-ID max/relative/overlap general_keyword general_values

ID, group-ID are documented in compute command
max/relative/overlap = style name of this compute command
general_keywords general_values are documented in compute

Examples

compute mro all max/relative/overlap

Description

Define a calculation that computes the maximum relative overlap for each particle of the group group-ID.

Please note that the list of neighbors is looped, which will depend on your neighbor and neigh_modify settings.

Warning

Please take into account that this is a very coarse approach and is computationally quite costly.

Output info:

This compute calculates a per-atom vector, which contains the max. relative overlap for the individual particle. These values can be used by any command that uses per-atom vector values from a compute as input. See Section_howto 15 for an overview of Aspherix® output options.

Further the compute calculates a global scalar that is the overall max. relative overlap (of all particles within your simulation).

Restrictions

This command does not check the max. overlap for particle-wall contacts.

Related commands: none

Default: none