# compute tdpd/cc/atom command ## Syntax ``` LAMMPS compute ID group-ID tdpd/cc/atom index ``` - ID, group-ID are documented in [compute](compute) command - tdpd/cc/atom = style name of this compute command - index = index of chemical species (1 to Nspecies) ## Examples ``` LAMMPS compute 1 all tdpd/cc/atom 2 ``` ## Description Define a computation that calculates the per-atom chemical concentration of a specified species for each tDPD particle in a group. The chemical concentration of each species is defined as the number of molecules carried by a tDPD particle for dilute solution. For more details see [(Li2015)](Li2015a). ## Output info This compute calculates a per-atom vector, which can be accessed by any command that uses per-atom values from a compute as input. See the [Howto output](Howto_output) page for an overview of LAMMPS output options. The per-atom vector values will be in the units of chemical species per unit mass. ## Restrictions This compute is part of the DPD-MESO package. It is only enabled if LAMMPS was built with that package. See the [Build package](Build_package) page for more info. ## Related commands [pair_style tdpd](pair_mesodpd) ## Default none ------------------------------------------------------------------------ ::: {#Li2015a} **(Li2015)** Li, Yazdani, Tartakovsky, Karniadakis, J Chem Phys, 143: 014101 (2015). DOI: 10.1063/1.4923254 :::