LAMMPS WWW Site - LAMMPS Documentation - LAMMPS Commands

fix bond/create/gran/disk command

Syntax:

fix ID group-ID bond/create/gran/disk Nevery itype jtype Rmin bondtype maxbond keyword values ... 

Examples:

fix 5 all bond/create/gran/disk 1 1 1 5.0 1 7 

Description:

This fix is part of the USER-SEAICE package; it is only enabled if LIGGGHTS was built with that package.

It creates bonds between pairs of disk-shaped atoms during a simulation according to specified criteria. It is a modification of fix bond/create command (part of the MC package), modified for disk-shaped atoms with bond_style gran/disk .

A check for possible new bonds is performed every Nevery timesteps. If two atoms I,J are within a distance Rmin of each other, if I is of atom type itype, if J is of atom type jtype, if both I and J are in the specified fix group, if a bond does not already exist between I and J, and if both I and J meet their respective maxbond requirement (explained below), then I,J is labeled as a "possible" bond pair. Note that the distance is measured between the edges (not between centers) of the disks.

For details of the algorithm and the usage of this command, see the documentation of fix bond/create.


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

See the documentation of fix bond/create.

Restrictions:

See the documentation of fix bond/create.

Related commands:

atom_style hybrid disk bond/gran/disk, bond_style gran/disk, fix bond/break/gran/disk

Default:

The option defaults are iparam = (0,itype), jparam = (0,jtype), and prob = 1.0.

(Herman) Agnieszka Herman, Geosci. Model Devel., submitted (2015).