# compute inertia/chunk command ## Syntax ``` LAMMPS compute ID group-ID inertia/chunk chunkID ``` - ID, group-ID are documented in [compute](compute) command - inertia/chunk = style name of this compute command - chunkID = ID of [compute chunk/atom](compute_chunk_atom) command ## Examples ``` LAMMPS compute 1 fluid inertia/chunk molchunk ``` ## Description Define a computation that calculates the inertia tensor for multiple chunks of atoms. In LAMMPS, chunks are collections of atoms defined by a [compute chunk/atom](compute_chunk_atom) command, which assigns each atom to a single chunk (or no chunk). The ID for this command is specified as chunkID. For example, a single chunk could be the atoms in a molecule or atoms in a spatial bin. See the [compute chunk/atom](compute_chunk_atom) and [Howto chunk](Howto_chunk) doc pages for details of how chunks can be defined and examples of how they can be used to measure properties of a system. This compute calculates the six components of the symmetric inertia tensor for each chunk, ordered $I_{xx},I_{yy},I_{zz},I_{xy},I_{yz},I_{xz}$. The calculation includes all effects due to atoms passing through periodic boundaries. Note that only atoms in the specified group contribute to the calculation. The [compute chunk/atom](compute_chunk_atom) command defines its own group; atoms will have a chunk ID = 0 if they are not in that group, signifying they are not assigned to a chunk, and will thus also not contribute to this calculation. You can specify the \"all\" group for this command if you simply want to include atoms with non-zero chunk IDs. :::: note ::: title Note ::: The coordinates of an atom contribute to the chunk\'s inertia tensor in \"unwrapped\" form, by using the image flags associated with each atom. See the [dump custom](dump) command for a discussion of \"unwrapped\" coordinates. See the Atoms section of the [read_data](read_data) command for a discussion of image flags and how they are set for each atom. You can reset the image flags (e.g., to 0) before invoking this compute by using the [set image](set) command. :::: The simplest way to output the results of the compute inertia/chunk calculation to a file is to use the [fix ave/time](fix_ave_time) command, for example: ``` LAMMPS compute cc1 all chunk/atom molecule compute myChunk all inertia/chunk cc1 fix 1 all ave/time 100 1 100 c_myChunk[*] file tmp.out mode vector ``` ## Output info This compute calculates a global array where the number of rows = the number of chunks *Nchunk* as calculated by the specified [compute chunk/atom](compute_chunk_atom) command. The number of columns is 6, one for each of the 6 components of the inertia tensor for each chunk, ordered as listed above. These values can be accessed by any command that uses global array values from a compute as input. See the [Howto output](Howto_output) page for an overview of LAMMPS output options. The array values are \"intensive\". The array values will be in mass\*distance$^2$ [units](units). ## Restrictions > none ## Related commands [variable inertia() function](variable) ## Default none