From b72f03d427a8f3ea49c680a125a3ec579e6b6c13 Mon Sep 17 00:00:00 2001 From: sjplimp Date: Sat, 5 Jan 2013 00:48:13 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9240 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- doc/fix_heat.html | 14 ++++++++++++++ doc/fix_heat.txt | 14 +++++++++++++- 2 files changed, 27 insertions(+), 1 deletion(-) diff --git a/doc/fix_heat.html b/doc/fix_heat.html index e871f5f484..44295c0cce 100644 --- a/doc/fix_heat.html +++ b/doc/fix_heat.html @@ -23,6 +23,8 @@
  • eflux = rate of heat addition or subtraction (energy/time units) +
  • eflux can be a variable (see below) +
  • zero or more keyword/value pairs may be appended to args
  • keyword = region @@ -35,6 +37,7 @@

    Examples:

    fix 3 qin heat 1 1.0
    +fix 3 qin heat 10 v_flux
     fix 4 qout heat 1 -1.0 region top 
     

    Description: @@ -62,6 +65,17 @@ time the fix is invoked. If heat is subtracted from the system too aggressively so that the group's kinetic energy would go to zero, LAMMPS halts with an error message.

    +

    The eflux parameter can be specified as an equal-style +variable. If the value is a variable, it should be +specified as v_name, where name is the variable name. In this case, +the variable will be evaluated each timestep, and its value used to +determine the flux. +

    +

    Equal-style variables can specify formulas with various mathematical +functions, and include thermo_style command +keywords for the simulation box parameters and timestep and elapsed +time. Thus it is easy to specify a time-dependent flux. +

    Fix heat is different from a thermostat such as fix nvt or fix temp/rescale in that energy is added/subtracted continually. Thus if there isn't another mechanism diff --git a/doc/fix_heat.txt b/doc/fix_heat.txt index b6c3ee3560..51a26b4278 100644 --- a/doc/fix_heat.txt +++ b/doc/fix_heat.txt @@ -16,6 +16,7 @@ ID, group-ID are documented in "fix"_fix.html command :ulb,l heat = style name of this fix command :l N = add/subtract heat every this many timesteps :l eflux = rate of heat addition or subtraction (energy/time units) :l +eflux can be a variable (see below) :l zero or more keyword/value pairs may be appended to args :l keyword = {region} :l {region} value = region-ID @@ -25,6 +26,7 @@ keyword = {region} :l [Examples:] fix 3 qin heat 1 1.0 +fix 3 qin heat 10 v_flux fix 4 qout heat 1 -1.0 region top :pre [Description:] @@ -52,6 +54,17 @@ time the fix is invoked. If heat is subtracted from the system too aggressively so that the group's kinetic energy would go to zero, LAMMPS halts with an error message. +The {eflux} parameter can be specified as an equal-style +"variable"_variable.html. If the value is a variable, it should be +specified as v_name, where name is the variable name. In this case, +the variable will be evaluated each timestep, and its value used to +determine the flux. + +Equal-style variables can specify formulas with various mathematical +functions, and include "thermo_style"_thermo_style.html command +keywords for the simulation box parameters and timestep and elapsed +time. Thus it is easy to specify a time-dependent flux. + Fix heat is different from a thermostat such as "fix nvt"_fix_nh.html or "fix temp/rescale"_fix_temp_rescale.html in that energy is added/subtracted continually. Thus if there isn't another mechanism @@ -90,4 +103,3 @@ minimization"_minimize.html. temp/region"_compute_temp_region.html [Default:] none -