Homec4science
Diffusion lammps (master) Browse

lammps/doc/compute_sum.txt
15f0990332e2master

Last Change
Raw File

compute_sum.txt
View Options

"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 sum command :h3
[Syntax:]
compute ID group-ID sum compute-ID1 compute-ID2 ... :pre
ID, group-ID are documented in "compute"_compute.html command
sum/ = style name of this compute command
compute-ID1, 2, ... = IDs of computes that calculate per-atom quantities :ul
[Examples:]
compute 1 all sum c_force
compute 1 all sum atomKE atomEpair atomEbond :pre
[Description:]
Define a computation that sums the results of one or more per-atom
computes across all atoms in the group to yield a global scalar or
vector quantity. For example, the forces on a group of atoms could be
summed to yield a net force on the group. The resulting value(s) can
be accessed by any command that uses global computes, e.g. the "thermo
custom"_therml_style.html command or "fix ave/time"_fix_ave_time.html
command or by a "variable"_variable.html command.
Unlike the "compute sum/atom" command, the result of this is not a
per-atom quantity, but a global scalar or vector. If the other
computes each generate a scalar value per atom, this compute will
generate a single scalar value. If the other computes each generate a
vector of values per atom, this compute will generate a vector of
values. In the latter case, all the other computes must generate
vectors of the same size.
[Restrictions:] none
[Related commands:]
"compute sum/atom"_compute_sum_atom.html
[Default:] none
c4science · Help