git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4121 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
@ -41,9 +41,11 @@ letters, it can be used as ${myTemp}.
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then all must be of the same variable style: <I>index</I>, <I>loop</I>,
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then all must be of the same variable style: <I>index</I>, <I>loop</I>,
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<I>universe</I>, or <I>uloop</I>. An exception is that <I>universe</I>- and
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<I>universe</I>, or <I>uloop</I>. An exception is that <I>universe</I>- and
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<I>uloop</I>-style variables can be mixed in the same <I>next</I> command.
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<I>uloop</I>-style variables can be mixed in the same <I>next</I> command.
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<I>Atom</I>- or <I>equal</I>- or <I>world</I>-style variables cannot be incremented
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</P>
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by a next command. All the variables specified are incremented by one
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<P>All the variables specified with the next command are incremented by
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value from their respective lists.
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one value from their respective list or values. <I>String-</I> or <I>atom</I>-
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or <I>equal</I>- or <I>world</I>-style variables cannot be used with the the
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next command, since they only store a single value.
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</P>
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</P>
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<P>When any of the variables in the next command has no more values, a
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<P>When any of the variables in the next command has no more values, a
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flag is set that causes the input script to skip the next
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flag is set that causes the input script to skip the next
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@ -38,9 +38,11 @@ If multiple variables are used as arguments to the {next} command,
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then all must be of the same variable style: {index}, {loop},
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then all must be of the same variable style: {index}, {loop},
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{universe}, or {uloop}. An exception is that {universe}- and
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{universe}, or {uloop}. An exception is that {universe}- and
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{uloop}-style variables can be mixed in the same {next} command.
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{uloop}-style variables can be mixed in the same {next} command.
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{Atom}- or {equal}- or {world}-style variables cannot be incremented
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by a next command. All the variables specified are incremented by one
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All the variables specified with the next command are incremented by
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value from their respective lists.
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one value from their respective list or values. {String-} or {atom}-
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or {equal}- or {world}-style variables cannot be used with the the
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next command, since they only store a single value.
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When any of the variables in the next command has no more values, a
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When any of the variables in the next command has no more values, a
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flag is set that causes the input script to skip the next
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flag is set that causes the input script to skip the next
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@ -17,7 +17,7 @@
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</PRE>
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</PRE>
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<UL><LI>name = name of variable to define
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<UL><LI>name = name of variable to define
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<LI>style = <I>delete</I> or <I>index</I> or <I>loop</I> or <I>world</I> or <I>universe</I> or <I>uloop</I> or <I>equal</I> or <I>atom</I>
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<LI>style = <I>delete</I> or <I>index</I> or <I>loop</I> or <I>world</I> or <I>universe</I> or <I>uloop</I> or <I>string</I> or <I>equal</I> or <I>atom</I>
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<PRE> <I>delete</I> = no args
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<PRE> <I>delete</I> = no args
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<I>index</I> args = one or more strings
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<I>index</I> args = one or more strings
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@ -25,6 +25,7 @@
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<I>world</I> args = one string for each partition of processors
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<I>world</I> args = one string for each partition of processors
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<I>universe</I> args = one or more strings
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<I>universe</I> args = one or more strings
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<I>uloop</I> args = N = integer size of loop
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<I>uloop</I> args = N = integer size of loop
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<I>string</I> arg = one string
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<I>equal</I> or <I>atom</I> args = one formula containing numbers, thermo keywords, math operations, group functions, atom values and vectors, compute/fix/variable references
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<I>equal</I> or <I>atom</I> args = one formula containing numbers, thermo keywords, math operations, group functions, atom values and vectors, compute/fix/variable references
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numbers = 0.0, 100, -5.4, 2.8e-4, etc
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numbers = 0.0, 100, -5.4, 2.8e-4, etc
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thermo keywords = vol, ke, press, etc from <A HREF = "thermo_style.html">thermo_style</A>
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thermo keywords = vol, ke, press, etc from <A HREF = "thermo_style.html">thermo_style</A>
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@ -57,6 +58,7 @@ variable b1 equal "x[234] + 0.5*vol"
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variable b equal xcm(mol1,x)/2.0
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variable b equal xcm(mol1,x)/2.0
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variable b equal c_myTemp
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variable b equal c_myTemp
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variable b atom x*y/vol
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variable b atom x*y/vol
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variable foo myfile
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variable temp world 300.0 310.0 320.0 ${Tfinal}
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variable temp world 300.0 310.0 320.0 ${Tfinal}
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variable x universe 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15
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variable x universe 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15
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variable x uloop 15
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variable x uloop 15
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@ -112,10 +114,11 @@ will override a corresponding index variable setting in the input
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script.
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script.
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</P>
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</P>
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<P>There are two exceptions to this rule. First, variables of style
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<P>There are two exceptions to this rule. First, variables of style
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<I>equal</I> and <I>atom</I> ARE redefined each time the command is encountered.
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<I>string</I> and <I>equal</I> and <I>atom</I> ARE redefined each time the command is
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This only changes their associated formula if the formula contains a
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encountered. This allows these style of variables to be redefined
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substitution for another variable, e.g. $x. But that can be useful,
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multiple times in an input script. In a loop, this means the formula
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for example, in a loop.
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associated with an <I>equal</I> or <I>atom</I> style variable can change if it
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contains a substitution for another variable, e.g. $x.
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</P>
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</P>
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<P>Second, as described below, if a variable is iterated on to the end of
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<P>Second, as described below, if a variable is iterated on to the end of
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its list of strings via the <A HREF = "next.html">next</A> command, it is removed
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its list of strings via the <A HREF = "next.html">next</A> command, it is removed
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@ -13,13 +13,14 @@ variable command :h3
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variable name style args ... :pre
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variable name style args ... :pre
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name = name of variable to define :ulb,l
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name = name of variable to define :ulb,l
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style = {delete} or {index} or {loop} or {world} or {universe} or {uloop} or {equal} or {atom} :l
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style = {delete} or {index} or {loop} or {world} or {universe} or {uloop} or {string} or {equal} or {atom} :l
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{delete} = no args
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{delete} = no args
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{index} args = one or more strings
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{index} args = one or more strings
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{loop} args = N = integer size of loop
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{loop} args = N = integer size of loop
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{world} args = one string for each partition of processors
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{world} args = one string for each partition of processors
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{universe} args = one or more strings
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{universe} args = one or more strings
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{uloop} args = N = integer size of loop
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{uloop} args = N = integer size of loop
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{string} arg = one string
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{equal} or {atom} args = one formula containing numbers, thermo keywords, math operations, group functions, atom values and vectors, compute/fix/variable references
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{equal} or {atom} args = one formula containing numbers, thermo keywords, math operations, group functions, atom values and vectors, compute/fix/variable references
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numbers = 0.0, 100, -5.4, 2.8e-4, etc
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numbers = 0.0, 100, -5.4, 2.8e-4, etc
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thermo keywords = vol, ke, press, etc from "thermo_style"_thermo_style.html
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thermo keywords = vol, ke, press, etc from "thermo_style"_thermo_style.html
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@ -51,6 +52,7 @@ variable b1 equal "x\[234\] + 0.5*vol"
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variable b equal xcm(mol1,x)/2.0
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variable b equal xcm(mol1,x)/2.0
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variable b equal c_myTemp
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variable b equal c_myTemp
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variable b atom x*y/vol
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variable b atom x*y/vol
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variable foo myfile
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variable temp world 300.0 310.0 320.0 $\{Tfinal\}
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variable temp world 300.0 310.0 320.0 $\{Tfinal\}
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variable x universe 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15
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variable x universe 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15
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variable x uloop 15
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variable x uloop 15
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@ -106,10 +108,11 @@ will override a corresponding index variable setting in the input
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script.
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script.
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There are two exceptions to this rule. First, variables of style
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There are two exceptions to this rule. First, variables of style
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{equal} and {atom} ARE redefined each time the command is encountered.
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{string} and {equal} and {atom} ARE redefined each time the command is
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This only changes their associated formula if the formula contains a
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encountered. This allows these style of variables to be redefined
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substitution for another variable, e.g. $x. But that can be useful,
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multiple times in an input script. In a loop, this means the formula
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for example, in a loop.
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associated with an {equal} or {atom} style variable can change if it
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contains a substitution for another variable, e.g. $x.
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Second, as described below, if a variable is iterated on to the end of
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Second, as described below, if a variable is iterated on to the end of
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its list of strings via the "next"_next.html command, it is removed
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its list of strings via the "next"_next.html command, it is removed
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