From 06810a3424e3ff21981a1673bb346e1a20ce19a8 Mon Sep 17 00:00:00 2001 From: sjplimp Date: Wed, 20 Feb 2008 14:52:21 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1545 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- doc/Section_commands.txt | 2 +- doc/compute.txt | 2 +- doc/compute_sum.html | 98 ---------------------------------------- doc/compute_sum.txt | 88 ------------------------------------ 4 files changed, 2 insertions(+), 188 deletions(-) delete mode 100644 doc/compute_sum.html delete mode 100644 doc/compute_sum.txt diff --git a/doc/Section_commands.txt b/doc/Section_commands.txt index 6c46248acc..4db4b624c1 100644 --- a/doc/Section_commands.txt +++ b/doc/Section_commands.txt @@ -446,10 +446,10 @@ description: "pe"_compute_pe.html, "pe/atom"_compute_pe_atom.html, "pressure"_compute_pressure.html, +"reduce"_compute_reduce.html, "rotate/dipole"_compute_rotate_dipole.html, "rotate/gran"_compute_rotate_gran.html, "stress/atom"_compute_stress_atom.html, -"sum"_compute_sum.html, "temp"_compute_temp.html, "temp/asphere"_compute_temp_asphere.html, "temp/deform"_compute_temp_deform.html, diff --git a/doc/compute.txt b/doc/compute.txt index d334639211..6071968f9d 100644 --- a/doc/compute.txt +++ b/doc/compute.txt @@ -114,10 +114,10 @@ available in LAMMPS: "pe"_compute_pe.html - potential energy "pe/atom"_compute_pe_atom.html - potential energy for each atom "pressure"_compute_pressure.html - total pressure and pressure tensor +"reduce"_compute_reduce.html - combine per-atom quantities into a single global value "rotate/dipole"_compute_rotate_dipole.html - rotational energy of dipolar atoms "rotate/gran"_compute_rotate_gran.html - rotational energy of granular atoms "stress/atom"_compute_stress_atom.html - stress tensor for each atom -"sum"_compute_sum.html - sum per-atom quantities to a global value "temp"_compute_temp.html - temperature of group of atoms "temp/asphere"_compute_temp_asphere.html - temperature of aspherical particles "temp/deform"_compute_temp_deform.html - temperature excluding box deformation velocity diff --git a/doc/compute_sum.html b/doc/compute_sum.html deleted file mode 100644 index 90d07ae00b..0000000000 --- a/doc/compute_sum.html +++ /dev/null @@ -1,98 +0,0 @@ - -
LAMMPS WWW Site - LAMMPS Documentation - LAMMPS Commands -
- - - - - - -
- -

compute sum command -

-

Syntax: -

-
compute ID group-ID sum value1 value2 ... 
-
- -

Examples: -

-
compute 1 all sum c_force
-compute 2 all sum c_press2 f_ave v_myKE 
-
-

Description: -

-

Define a calculation that sums the results of one or more per-atom -quantities across all atoms in the group to yield a global scalar or -vector quantity. The resulting value(s) can be accessed by any -command that uses global computes, e.g. the thermo -custom command or fix ave/time -command or by a variable command. See this -section of the documentation for an overview -of output options. -

-

Each listed value is summed independently. The group specified with -the command means only atoms within the group contribute to the sum. -Note that the value that produces the per-atom quantities may define -its own group which affects the values it returns. For example, if a -per-atom compute is used as a value, it will generate values of 0.0 -for atoms that are not in the group specified for that compute. -

-

Each listed value can be an atom attribute (position, velocity, force -component) or can be the result of a compute or -fix or the evaluation of an atom-style -variable. In the latter cases, the compute, fix, or -variable must produce a per-atom quantity, not a global quantity. -

-

Computes that produce per-atom quantities are those -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 -vector of global values, the length of which is equal to the -number of values specified. -

-

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. -

-

Output info: -

-

The scalar and vector values calculated by this compute are -"extensive", meaning they scale with the number of atoms in the -simulation. -

-

Restrictions: none -

-

Related commands: -

-

compute, fix, variable -

-

Default: none -

- diff --git a/doc/compute_sum.txt b/doc/compute_sum.txt deleted file mode 100644 index c545a9a46e..0000000000 --- a/doc/compute_sum.txt +++ /dev/null @@ -1,88 +0,0 @@ -"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 value1 value2 ... :pre - -ID, group-ID are documented in "compute"_compute.html command :ulb,l -sum = style name of this compute command :l -one or more values can be listed :l -value = x, y, z, vx, vy, vz, fx, fy, fz, c_ID, c_ID\[N\], f_ID, f_ID\[N\], v_name :l - x,y,z,vx,vy,vz,fx,fy,fz = atom attribute (position, velocity, force component) - c_ID = per-atom scalar value calculated by a compute with ID - c_ID\[N\] = Nth component of per-atom vector calculated by a compute with ID - f_ID = per-atom scalar value calculated by a fix with ID - f_ID\[N\] = Nth component of per-atom vector calculated by a fix with ID - v_name = per-atom value calculated by an atom-style variable with name :pre -:ule - -[Examples:] - -compute 1 all sum c_force -compute 2 all sum c_press[2] f_ave v_myKE :pre - -[Description:] - -Define a calculation that sums the results of one or more per-atom -quantities across all atoms in the group to yield a global scalar or -vector quantity. 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. See "this -section"_Section_howto.html#4_15 of the documentation for an overview -of output options. - -Each listed value is summed independently. The group specified with -the command means only atoms within the group contribute to the sum. -Note that the value that produces the per-atom quantities may define -its own group which affects the values it returns. For example, if a -per-atom compute is used as a value, it will generate values of 0.0 -for atoms that are not in the group specified for that compute. - -Each listed value can be an atom attribute (position, velocity, force -component) or can be the result of a "compute"_compute.html or -"fix"_fix.html or the evaluation of an atom-style -"variable"_variable.html. In the latter cases, the compute, fix, 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. 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 -vector of global values, the length of which is equal to the -number of values specified. - -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. - -[Output info:] - -The scalar and vector values calculated by this compute are -"extensive", meaning they scale with the number of atoms in the -simulation. - -[Restrictions:] none - -[Related commands:] - -"compute"_compute.html, "fix"_fix.html, "variable"_variable.html - -[Default:] none