lammps/doc/compute_bond.txt

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"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 bond command :h3
[Syntax:]
compute ID group-ID bond :pre
ID, group-ID are documented in "compute"_compute.html command
bond = style name of this compute command :ul
[Examples:]
compute 1 all bond :pre
[Description:]
Define a computation that extracts the bond energy calculated by each
of the bond sub-styles used in the "bond_style
hybrid"_bond_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 "bond_style hybrid"_bond_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 "bond_style
hybrid"_bond_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