As discussed below, for sum mode, the value(s) produced by this -compute are all "extensive", meaning their value scales linearly with -the number of atoms involved. If normalized values are desired, this -compute can be accessed by the thermo_style custom -command with thermo_modify norm yes set as an -option. Or it can be accessed by a variable that -divides by the appropriate atom count. +
As discussed below, for the sum and sumsq modes, the value(s) +produced by this compute are all "extensive", meaning their value +scales linearly with the number of atoms involved. If normalized +values are desired, this compute can be accessed by the thermo_style +custom command with thermo_modify norm +yes set as an option. Or it can be accessed by a +variable that divides by the appropriate atom count.
All the scalar or vector values calculated by this compute are -"intensive", except when the sum mode is used on per-atom or local -vectors, in which case the calculated values are "extensive". +"intensive", except when the sum or sumsq modes are used on +per-atom or local vectors, in which case the calculated values are +"extensive".
The scalar or vector values will be in whatever units the quantities being reduced are in. diff --git a/doc/compute_reduce.txt b/doc/compute_reduce.txt index 0074e990f3..13ef74c92f 100644 --- a/doc/compute_reduce.txt +++ b/doc/compute_reduce.txt @@ -149,13 +149,13 @@ value. If multiple inputs are specified, this compute produces a global vector of values, the length of which is equal to the number of inputs specified. -As discussed below, for {sum} mode, the value(s) produced by this -compute are all "extensive", meaning their value scales linearly with -the number of atoms involved. If normalized values are desired, this -compute can be accessed by the "thermo_style custom"_thermo_style.html -command with "thermo_modify norm yes"_thermo_modify.html set as an -option. Or it can be accessed by a "variable"_variable.html that -divides by the appropriate atom count. +As discussed below, for the {sum} and {sumsq} modes, the value(s) +produced by this compute are all "extensive", meaning their value +scales linearly with the number of atoms involved. If normalized +values are desired, this compute can be accessed by the "thermo_style +custom"_thermo_style.html command with "thermo_modify norm +yes"_thermo_modify.html set as an option. Or it can be accessed by a +"variable"_variable.html that divides by the appropriate atom count. :line @@ -169,8 +169,9 @@ compute as input. See "Section_howto 15"_Section_howto.html#howto_15 for an overview of LAMMPS output options. All the scalar or vector values calculated by this compute are -"intensive", except when the {sum} mode is used on per-atom or local -vectors, in which case the calculated values are "extensive". +"intensive", except when the {sum} or {sumsq} modes are used on +per-atom or local vectors, in which case the calculated values are +"extensive". The scalar or vector values will be in whatever "units"_units.html the quantities being reduced are in.