Computes that produce per-atom quantities are those -which have the word atom in their style name. Currently the only -fix that produces per-atom quantities is the fix -ave/atom command. Variables of -style atom are the only ones that can be used with this compute -since all other variable stylse produce global quantities. +which have the word atom in their style name. See the doc pages for +individual fixes to determine which ones produce per-atom +quantities. Variables of style atom are the only +ones that can be used with this compute since all other variable +styles produce global quantities.
If a single value is specified this compute produces a global scalar value. If multiple values are specified, this compute produces a diff --git a/doc/compute_sum.txt b/doc/compute_sum.txt index ff41961e7c..c545a9a46e 100644 --- a/doc/compute_sum.txt +++ b/doc/compute_sum.txt @@ -54,11 +54,11 @@ component) or can be the result of a "compute"_compute.html or variable must produce a per-atom quantity, not a global quantity. "Computes"_compute.html that produce per-atom quantities are those -which have the word {atom} in their style name. Currently the only -fix that produces per-atom quantities is the "fix -ave/atom"_fix_ave_atom.html command. "Variables"_variable.html of -style {atom} are the only ones that can be used with this compute -since all other variable stylse produce global quantities. +which have the word {atom} in their style name. See the doc pages for +individual "fixes"_fix.html to determine which ones produce per-atom +quantities. "Variables"_variable.html of style {atom} are the only +ones that can be used with this compute since all other variable +styles produce global quantities. If a single value is specified this compute produces a global scalar value. If multiple values are specified, this compute produces a diff --git a/doc/dump.html b/doc/dump.html index ba2e06eee1..cbe3f9b522 100644 --- a/doc/dump.html +++ b/doc/dump.html @@ -258,10 +258,10 @@ the M-length per-atom vector calculated by the compute.
The f_ID and f_ID[N] keywords allow scalar or vector per-atom quantities calculated by a fix to be output. The ID in the keyword should be replaced by the actual ID of the fix that has been -defined previously in the input script. Currently the fix -ave/atom command is the only fix that calculates -per-atom quantities. Since it can time-average per-atom quantities -produced by any compute, fix, or atom-style +defined previously in the input script. The fix +ave/atom command is one that calculates per-atom +quantities. Since it can time-average per-atom quantities produced by +any compute, fix, or atom-style variable, this allows those time-averaged results to be written to a dump file.
diff --git a/doc/dump.txt b/doc/dump.txt index 5640e62f65..19b34bb8cf 100644 --- a/doc/dump.txt +++ b/doc/dump.txt @@ -248,10 +248,10 @@ the M-length per-atom vector calculated by the compute. The {f_ID} and {f_ID\[N\]} keywords allow scalar or vector per-atom quantities calculated by a "fix"_fix.html to be output. The ID in the keyword should be replaced by the actual ID of the fix that has been -defined previously in the input script. Currently the "fix -ave/atom"_fix_ave_atom.html command is the only fix that calculates -per-atom quantities. Since it can time-average per-atom quantities -produced by any "compute"_compute.html, "fix"_fix.html, or atom-style +defined previously in the input script. The "fix +ave/atom"_fix_ave_atom.html command is one that calculates per-atom +quantities. Since it can time-average per-atom quantities produced by +any "compute"_compute.html, "fix"_fix.html, or atom-style "variable"_variable.html, this allows those time-averaged results to be written to a dump file. diff --git a/doc/fix_ave_atom.html b/doc/fix_ave_atom.html index 36c4019df5..b687a956da 100644 --- a/doc/fix_ave_atom.html +++ b/doc/fix_ave_atom.html @@ -64,13 +64,11 @@ you wish to time-average global quantities from a compute, fix, or variable, then see the fix ave/time command.Computes that produce per-atom quantities are those -which have the word atom in their style name. Currently the only -fix that produces per-atom quantities is this fix itself, namely fix -ave/atom. Thus this fix could be used to produce output that would be -the input for another fix ave/atom command, though that would be a -strange mode of use. Variables of style atom are -the only ones that can be used with this fix since all other styles of -variable produce global quantities. +which have the word atom in their style name. See the doc pages for +inidividual fixes to determine which ones produce per-atom +quantities. Variables of style atom are the only +ones that can be used with this fix since all other styles of variable +produce global quantities.
Computes that produce per-atom quantities are those -which have the word atom in their style name. Currently the only -fix that produces per-atom quantities is fix -ave/atom. Variables of style -atom are the only ones that can be used with this fix since all -other styles of variable produce global quantities. +which have the word atom in their style name. See the doc pages for +individual fixes to determine which ones produce per-atom +quantities. Variables of style atom are the only +ones that can be used with this fix since all other styles of variable +produce global quantities.
Note that the formula for equal-style variables cannot use any formula -element that produces per-atom values, namely atom vectors, a compute -that produces per-atom values, a fix that produces per-atoms values, -or an atom-style variable. The formula for atom-style variables can -use these quantities, as well as quantities that produce a global -scalar or vector, e.g. a compute or fix that produces global +
Note that a formula for equal-style variables cannot use any formula +element that produces per-atom values. This includes atom vectors, a +compute that produces per-atom values, a fix that produces per-atoms +values, or an atom-style variable. A formula for an atom-style +variables can use these elements, as well as elements that produce a +global scalar or vector, e.g. a compute or fix that produces global quantities.
The thermo keywords allowed in a formula are those defined by the diff --git a/doc/variable.txt b/doc/variable.txt index 5e44621883..097128a7f2 100644 --- a/doc/variable.txt +++ b/doc/variable.txt @@ -216,12 +216,12 @@ Compute references: c_ID, c_ID\[N\] Fix references: f_ID, f_ID\[N\] Other variables: v_abc, v_x, etc :tb(s=:) -Note that the formula for equal-style variables cannot use any formula -element that produces per-atom values, namely atom vectors, a compute -that produces per-atom values, a fix that produces per-atoms values, -or an atom-style variable. The formula for atom-style variables can -use these quantities, as well as quantities that produce a global -scalar or vector, e.g. a compute or fix that produces global +Note that a formula for equal-style variables cannot use any formula +element that produces per-atom values. This includes atom vectors, a +compute that produces per-atom values, a fix that produces per-atoms +values, or an atom-style variable. A formula for an atom-style +variables can use these elements, as well as elements that produce a +global scalar or vector, e.g. a compute or fix that produces global quantities. The thermo keywords allowed in a formula are those defined by the