From 1623a3ef89309647b97187a69165528a1c449053 Mon Sep 17 00:00:00 2001
From: sjplimp
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. +
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 where each value is the sum across atoms +of the corresponding value produced by the other computes. In the +latter case, all the other computes must generate per-atom vectors of +the same size.
Restrictions: none
diff --git a/doc/compute_sum.txt b/doc/compute_sum.txt index a0d199bdcb..600113297f 100644 --- a/doc/compute_sum.txt +++ b/doc/compute_sum.txt @@ -31,13 +31,15 @@ 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. +Unlike the "compute sum/atom"_compute_sum_atom.html 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 where each value is the sum across atoms +of the corresponding value produced by the other computes. In the +latter case, all the other computes must generate per-atom vectors of +the same size. [Restrictions:] none diff --git a/doc/compute_sum_atom.html b/doc/compute_sum_atom.html index f1783f62da..33a1a26259 100644 --- a/doc/compute_sum_atom.html +++ b/doc/compute_sum_atom.html @@ -38,7 +38,7 @@ other computes that it invokes. E.g. if the other computes each generate a scalar value per atom, so will this compute. If the other computes each generate a vector of values per atom, so will this compute. In the latter case, all the other computes must generate -vectors of the same size. +per-atom vectors of the same size.Restrictions: none
diff --git a/doc/compute_sum_atom.txt b/doc/compute_sum_atom.txt index d94f7daf13..0eec509f8c 100644 --- a/doc/compute_sum_atom.txt +++ b/doc/compute_sum_atom.txt @@ -35,7 +35,7 @@ other computes that it invokes. E.g. if the other computes each generate a scalar value per atom, so will this compute. If the other computes each generate a vector of values per atom, so will this compute. In the latter case, all the other computes must generate -vectors of the same size. +per-atom vectors of the same size. [Restrictions:] none