compute mesont command¶
compute ID group-ID mesont mode
ID, group-ID are documented in compute command
mesont = style name of the compute command
mode = one of estretch, ebend, etube (see details below)
compute 1 all mesont estretch
These computes define computations for the stretching (estretch), bending (ebend), and intertube (etube) per-node (atom) and total energies. The evaluated value is selected by a parameter passed to the compute: estretch, ebend, etube.
These computes calculate per-node (per-atom) vectors, which can be accessed by any command that uses per-atom values from a compute as input, and global scalars. See the Howto output doc page for an overview of LAMMPS output options.
The computed values are provided in energy units.
These computes are part of the USER-MESONT package. They are only enabled if LAMMPS is built with that package. See the Build package doc page for more info. In addition, mesont pair_style must be used.