"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c

:link(lws,http://lammps.sandia.gov)
:link(ld,Manual.html)
:link(lc,Section_commands.html#comm)

:line

compute improper command :h3

[Syntax:]

compute ID group-ID improper :pre

ID, group-ID are documented in "compute"_compute.html command
improper = style name of this compute command :ul

[Examples:]

compute 1 all improper :pre

[Description:]

Define a computation that extracts the improper energy calculated by
each of the improper sub-styles used in the "improper_style
hybrid"_improper_hybrid.html command.  These values are made
accessible for output or further processing by other commands.  The
group specified for this command is ignored.

This compute is useful when using "improper_style
hybrid"_improper_hybrid.html if you want to know the portion of the
total energy contributed by one or more of the hybrid sub-styles.

[Output info:]

This compute calculates a global vector of length N where N is the
number of sub_styles defined by the "improper_style
hybrid"_improper_style.html command.  which can be accessed by indices
1-N.  These values can be used by any command that uses global scalar
or vector values from a compute as input.  See "this
section"_Section_howto.html#howto_15 for an overview of LAMMPS output
options.

The vector values are "extensive" and will be in energy
"units"_units.html.

[Restrictions:] none

[Related commands:]

"compute pe"_compute_pe.html, "compute pair"_compute_pair.html

[Default:] none
