From fc23c08d6b3dc76df2deda874da80ada54b6fbaa Mon Sep 17 00:00:00 2001 From: sjplimp Date: Tue, 3 Jul 2007 14:58:21 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@722 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- doc/variable.html | 43 ++++++++++++++++++++++++++----------------- doc/variable.txt | 43 ++++++++++++++++++++++++++----------------- 2 files changed, 52 insertions(+), 34 deletions(-) diff --git a/doc/variable.html b/doc/variable.html index 6e3234e5cc..e0e662b751 100644 --- a/doc/variable.html +++ b/doc/variable.html @@ -46,13 +46,13 @@

Examples: 

variable x index run1 run2 run3 run4 run5 run6 run7 run8
-variable LoopVar loop 20
+variable LoopVar loop $n
 variable beta equal div(temp,3.0)
 variable b1 equal add(x[234],mult(0.5,vol))
 variable b equal div(xcm(mol1,x),2.0)
 variable b equal c_myTemp[0]
 variable b atom div(mult(x,y),vol)
-variable temp world 300.0 310.0 320.0 330.0
+variable temp world 300.0 310.0 320.0 $Tfinal
 variable x universe 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15
 variable x uloop 15
@@ -74,24 +74,33 @@ variable/atom commands).

In the discussion that follows, the "name" of the variable is the arbitrary string that is the 1st argument in the variable command. -The "string" is one of the subsequent arguments. The "value" is the -numeric quantity resulting from evaluation of the string. Note that -the same string can generate different values when it is evaluated at -different times during a simulation. +The "string" is one or more of the subsequent arguments. The "string" +can be simple text as in the 1st example above, it can contain other +variables as in the 2nd example, or it can be an equation as in the +3rd example. The "value" is the numeric quantity resulting from +evaluation of the string. Note that the same string can generate +different values when it is evaluated at different times during a +simulation.

IMPORTANT NOTE: When a variable command is encountered in the input script and the variable name has already been specified, the command is ignored. This means variables can NOT be re-defined in an input -script. This is to allow an input script to be processed multiple -times without resetting the variables; see the jump or -include commands. It also means that using a -command-line switch -var will override a corresponding variable -setting in the input script. +script (with 2 exceptions, read further). This is to allow an input +script to be processed multiple times without resetting the variables; +see the jump or include commands. It also +means that using a command-line switch -var will override a +corresponding variable setting in the input script.

-

There is one exception to this rule. As described below, if a -variable is iterated on to the end of its list of strings via the -next command, it is available to be re-defined in a -subsequent variable command. +

There are two exceptions to this rule. First, variables of style +equal ARE redefined each time the command is encountered. This +allow them to be reset, e.g. in a loop. This means an equal-style +variable will re-define a command-line swich -var setting, so use an +index-style variable for these settings instead, as in bench/in.lj. +

+

Second, as described below, if a variable is iterated on to the end of +its list of strings via the next command, it is removed +from the list of active varaibles, and is thus available to be +re-defined in a subsequent variable command.

@@ -102,8 +111,8 @@ the name "x" is a single character, or as ${LoopVar} if the name "LoopVar" is one or more characters.

As described below, for variable styles index, loop, universe, -and uloop, the string assigned to a variable can be incremented via -the next command. When there are no more strings to +and uloop, which string is assigned to a variable can be incremented +via the next command. When there are no more strings to assign, the variable is "exhausted" and a flag is set that causes the next jump command encountered in the input script to be skipped. This enables the construction of simple loops in the input diff --git a/doc/variable.txt b/doc/variable.txt index eeb9eab7fd..27d2753c6c 100644 --- a/doc/variable.txt +++ b/doc/variable.txt @@ -40,13 +40,13 @@ style = {index} or {loop} or {world} or {universe} or {uloop} or {equal} or {ato [Examples:] variable x index run1 run2 run3 run4 run5 run6 run7 run8 -variable LoopVar loop 20 +variable LoopVar loop $n variable beta equal div(temp,3.0) variable b1 equal add(x\[234\],mult(0.5,vol)) variable b equal div(xcm(mol1,x),2.0) variable b equal c_myTemp\[0\] variable b atom div(mult(x[],y[]),vol) -variable temp world 300.0 310.0 320.0 330.0 +variable temp world 300.0 310.0 320.0 ${Tfinal} variable x universe 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 variable x uloop 15 :pre @@ -68,24 +68,33 @@ variable/atom"_compute_variable_atom.html commands). In the discussion that follows, the "name" of the variable is the arbitrary string that is the 1st argument in the variable command. -The "string" is one of the subsequent arguments. The "value" is the -numeric quantity resulting from evaluation of the string. Note that -the same string can generate different values when it is evaluated at -different times during a simulation. +The "string" is one or more of the subsequent arguments. The "string" +can be simple text as in the 1st example above, it can contain other +variables as in the 2nd example, or it can be an equation as in the +3rd example. The "value" is the numeric quantity resulting from +evaluation of the string. Note that the same string can generate +different values when it is evaluated at different times during a +simulation. IMPORTANT NOTE: When a variable command is encountered in the input script and the variable name has already been specified, the command is ignored. This means variables can NOT be re-defined in an input -script. This is to allow an input script to be processed multiple -times without resetting the variables; see the "jump"_jump.html or -"include"_include.html commands. It also means that using a -command-line switch -var will override a corresponding variable -setting in the input script. +script (with 2 exceptions, read further). This is to allow an input +script to be processed multiple times without resetting the variables; +see the "jump"_jump.html or "include"_include.html commands. It also +means that using a command-line switch -var will override a +corresponding variable setting in the input script. -There is one exception to this rule. As described below, if a -variable is iterated on to the end of its list of strings via the -"next"_next.html command, it is available to be re-defined in a -subsequent variable command. +There are two exceptions to this rule. First, variables of style +{equal} ARE redefined each time the command is encountered. This +allow them to be reset, e.g. in a loop. This means an {equal}-style +variable will re-define a command-line swich -var setting, so use an +{index}-style variable for these settings instead, as in bench/in.lj. + +Second, as described below, if a variable is iterated on to the end of +its list of strings via the "next"_next.html command, it is removed +from the list of active varaibles, and is thus available to be +re-defined in a subsequent variable command. :line @@ -96,8 +105,8 @@ the name "x" is a single character, or as $\{LoopVar\} if the name "LoopVar" is one or more characters. As described below, for variable styles {index}, {loop}, {universe}, -and {uloop}, the string assigned to a variable can be incremented via -the "next"_next.html command. When there are no more strings to +and {uloop}, which string is assigned to a variable can be incremented +via the "next"_next.html command. When there are no more strings to assign, the variable is "exhausted" and a flag is set that causes the next "jump"_jump.html command encountered in the input script to be skipped. This enables the construction of simple loops in the input