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

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

:line

compute dihedral command :h3

[Syntax:]

compute ID group-ID dihedral :pre

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

[Examples:]

compute 1 all dihedral :pre

[Description:]

Define a computation that extracts the dihedral energy calculated by
each of the dihedral sub-styles used in the "dihedral_style
hybrid"_dihedral_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 "dihedral_style
hybrid"_dihedral_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 "dihedral_style
hybrid"_dihedral_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 the "Howto
output"_Howto_output.html doc page 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
