forked from lijiext/lammps
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@208 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
parent
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@ -33,8 +33,8 @@ to "z", it can be used in an input script command as $a or $z. If it
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is multiple letters, it can be used as $<I>myTemp</I>.
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</P>
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<P>All variables in a single next command must be the same style:
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<I>index</I>, <I>loop</I>, or <I>universe</I>. <I>Equal</I>- or <I>world</I>-style variables
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cannot be incremented by a next command.
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<I>index</I>, <I>loop</I>, <I>universe</I>, or <I>uloop</I>. <I>Equal</I>- or <I>world</I>-style
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variables cannot be incremented by a next command.
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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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flag is set that causes the input script to skip the next
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@ -43,15 +43,15 @@ a next command to exit.
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</P>
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<P>When the next command is used with <I>index</I>- or <I>loop</I>-style variables,
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the next value is assigned to the variable for all processors. When
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the next command is used with <I>universe</I>-style variables, the next
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value is assigned to whichever processor partition executes the
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command first. All processors in the partition are assigned the same
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value. Running LAMMPS on multiple partitions of processors via the
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"-partition" command-line switch is described in <A HREF = "Section_start.html#2_4">this
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section</A> of the manual. <I>Universe</I>-style
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variables are incremented using the files "tmp.lammps.variable" and
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"tmp.lammps.variable.lock" which you will see in your directory during
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such a LAMMPS run.
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the next command is used with <I>universe</I>- or <I>uloop</I>-style variables,
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the next value is assigned to whichever processor partition executes
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the command first. All processors in the partition are assigned the
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same value. Running LAMMPS on multiple partitions of processors via
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the "-partition" command-line switch is described in <A HREF = "Section_start.html#2_4">this
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section</A> of the manual. <I>Universe</I>- and
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<I>uloop</I>-style variables are incremented using the files
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"tmp.lammps.variable" and "tmp.lammps.variable.lock" which you will
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see in your directory during such a LAMMPS run.
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</P>
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<P>Here is an example of running a series of simulations using the next
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command with an <I>index</I>-style variable. If this input script is named
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22
doc/next.txt
22
doc/next.txt
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@ -30,8 +30,8 @@ to "z", it can be used in an input script command as $a or $z. If it
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is multiple letters, it can be used as ${myTemp}.
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All variables in a single next command must be the same style:
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{index}, {loop}, or {universe}. {Equal}- or {world}-style variables
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cannot be incremented by a next command.
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{index}, {loop}, {universe}, or {uloop}. {Equal}- or {world}-style
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variables cannot be incremented by a next command.
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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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@ -40,15 +40,15 @@ a next command to exit.
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When the next command is used with {index}- or {loop}-style variables,
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the next value is assigned to the variable for all processors. When
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the next command is used with {universe}-style variables, the next
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value is assigned to whichever processor partition executes the
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command first. All processors in the partition are assigned the same
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value. Running LAMMPS on multiple partitions of processors via the
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"-partition" command-line switch is described in "this
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section"_Section_start.html#2_4 of the manual. {Universe}-style
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variables are incremented using the files "tmp.lammps.variable" and
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"tmp.lammps.variable.lock" which you will see in your directory during
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such a LAMMPS run.
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the next command is used with {universe}- or {uloop}-style variables,
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the next value is assigned to whichever processor partition executes
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the command first. All processors in the partition are assigned the
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same value. Running LAMMPS on multiple partitions of processors via
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the "-partition" command-line switch is described in "this
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section"_Section_start.html#2_4 of the manual. {Universe}- and
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{uloop}-style variables are incremented using the files
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"tmp.lammps.variable" and "tmp.lammps.variable.lock" which you will
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see in your directory during such a LAMMPS run.
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Here is an example of running a series of simulations using the next
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command with an {index}-style variable. If this input script is named
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@ -30,7 +30,8 @@
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fx[1], fy[2005], fz[1]
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keywords = same keywords (mostly) as in <A HREF = "thermo_style.html">thermo_style custom</A> command
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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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</PRE>
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</UL>
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@ -42,7 +43,8 @@ variable beta equal div(temp,3.0)
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variable b1 equal add(x[234],mult(0.5,lx))
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variable b equal xcm(mol1,x)
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variable temp world 300.0 310.0 320.0 330.0
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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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</PRE>
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<P><B>Description:</B>
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</P>
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@ -56,8 +58,8 @@ variable's value. The variable name can be referenced in the input
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script as $x if the name "x" is a single character, or as ${LoopVar}
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if the name "LoopVar" is one or more characters.
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</P>
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<P>As described below, for variable styles <I>index</I>, <I>loop</I>, and
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<I>universe</I>, the value assigned to a variable can be incremented via
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<P>As described below, for variable styles <I>index</I>, <I>loop</I>, <I>universe</I>,
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and <I>uloop</I>, the value assigned to a variable can be incremented via
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the <A HREF = "next.html">next</A> command. When there are no more values to
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assign, the variable is "exhausted" and a flag is set that causes the
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next <A HREF = "jump.html">jump</A> command encountered in the input script to be
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@ -65,13 +67,17 @@ skipped. This enables the construction of simple loops in the input
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script that are iterated over and exited from.
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</P>
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<P>When a variable command is encountered for a variable that has already
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been specified, the command is skipped. This is the case for all
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variable styles except <I>equal</I>, so that <I>equal</I>-style variable names
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can be re-used and re-defined anytime. Skipping allows you to loop
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over the same input script many times without re-defining your
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variables. When a variable is exhausted via the <A HREF = "next.html">next</A>
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command, it is then available to be re-defined in a subsequent
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variable command.
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been specified, the command is ignored. This allows an input script
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with a variable command to be processed multiple times; see the
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<A HREF = "jump.html">jump</A> or <A HREF = "include.html">include</A> commands. It also means
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that the use of the command-line switch -var will override a
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corresponding variable setting in the input script.
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</P>
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<P>There are two exceptions to this rule. The first is for <I>equal</I> style
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variables. They are re-defined each time a variable command using an
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equal-style variable is encountered. Also, if a variable is iterated
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on to the end of its list via the <A HREF = "next.html">next</A> command, it is
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available to be re-defined in a subsequent variable command.
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</P>
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<P>For the <I>index</I> style, one or more strings are specified. Initially,
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the 1st string is assigned to the variable. Each time a
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@ -82,10 +88,12 @@ value) by using the command-line switch -var; see <A HREF = "Section_start.html#
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section</A> for details.
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</P>
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<P>The <I>loop</I> style is identical to the <I>index</I> style except that the
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strings are the integers from 1 to N. Initially, the string "1" is
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assigned to the variable. Each time a <A HREF = "next.html">next</A> command is
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used with the variable name, the next string ("2", "3", etc) is
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assigned. All processors assign the same string to the variable.
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strings are the integers from 1 to N. This allows you to generate a
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long list of runs (e.g. 1000) without having to list N values in your
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input script. Initially, the string "1" is assigned to the variable.
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Each time a <A HREF = "next.html">next</A> command is used with the variable name,
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the next string ("2", "3", etc) is assigned. All processors assign
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the same string to the variable.
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</P>
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<P>For the <I>equal</I> style, a single string is specified which represents
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an equation that will be evaluated afresh each time the variable is
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@ -166,12 +174,10 @@ they are all finished. <I>Universe</I>-style variables are incremented
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using the files "tmp.lammps.variable" and "tmp.lammps.variable.lock"
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which you will see in your directory during such a LAMMPS run.
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</P>
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<P>If a variable command is encountered when the variable has already
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been defined, the command is ignored. Thss allows an input script
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with a variable command to be processed multiple times; see the
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<A HREF = "jump.html">jump</A> or <A HREF = "include.html">include</A> commands. It also means
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that the use of the command-line switch -var will override a
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corresponding variable setting in the input script.
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<P>The <I>uloop</I> style is identical to the <I>universe</I> style except that the
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strings are the integers from 1 to N. This allows you to generate a
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long list of runs (e.g. 1000) without having to list N values in your
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input script.
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</P>
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<P><B>Restrictions:</B>
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</P>
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@ -25,7 +25,8 @@ style = {index} or {loop} or {equal} or {world} or {universe} :l
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fx\[1\], fy\[2005\], fz\[1\]
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keywords = same keywords (mostly) as in "thermo_style custom"_thermo_style.html command
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{world} args = one string for each partition of processors
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{universe} args = one or more strings :pre
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{universe} args = one or more strings
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{uloop} args = N = integer size of loop :pre
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:ule
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[Examples:]
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variable b1 equal add(x\[234\],mult(0.5,lx))
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variable b equal xcm(mol1,x)
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variable temp world 300.0 310.0 320.0 330.0
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variable x universe 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 :pre
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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 :pre
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[Description:]
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@ -50,8 +52,8 @@ variable's value. The variable name can be referenced in the input
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script as $x if the name "x" is a single character, or as $\{LoopVar\}
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if the name "LoopVar" is one or more characters.
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As described below, for variable styles {index}, {loop}, and
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{universe}, the value assigned to a variable can be incremented via
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As described below, for variable styles {index}, {loop}, {universe},
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and {uloop}, the value assigned to a variable can be incremented via
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the "next"_next.html command. When there are no more values to
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assign, the variable is "exhausted" and a flag is set that causes the
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next "jump"_jump.html command encountered in the input script to be
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@ -59,13 +61,17 @@ skipped. This enables the construction of simple loops in the input
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script that are iterated over and exited from.
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When a variable command is encountered for a variable that has already
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been specified, the command is skipped. This is the case for all
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variable styles except {equal}, so that {equal}-style variable names
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can be re-used and re-defined anytime. Skipping allows you to loop
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over the same input script many times without re-defining your
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variables. When a variable is exhausted via the "next"_next.html
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command, it is then available to be re-defined in a subsequent
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variable command.
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been specified, the command is ignored. This allows an input script
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with a variable command to be processed multiple times; see the
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"jump"_jump.html or "include"_include.html commands. It also means
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that the use of the command-line switch -var will override a
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corresponding variable setting in the input script.
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There are two exceptions to this rule. The first is for {equal} style
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variables. They are re-defined each time a variable command using an
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equal-style variable is encountered. Also, if a variable is iterated
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on to the end of its list via the "next"_next.html command, it is
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available to be re-defined in a subsequent variable command.
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For the {index} style, one or more strings are specified. Initially,
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the 1st string is assigned to the variable. Each time a
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@ -76,10 +82,12 @@ value) by using the command-line switch -var; see "this
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section"_Section_start.html#2_4 for details.
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The {loop} style is identical to the {index} style except that the
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strings are the integers from 1 to N. Initially, the string "1" is
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assigned to the variable. Each time a "next"_next.html command is
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used with the variable name, the next string ("2", "3", etc) is
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assigned. All processors assign the same string to the variable.
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strings are the integers from 1 to N. This allows you to generate a
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long list of runs (e.g. 1000) without having to list N values in your
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input script. Initially, the string "1" is assigned to the variable.
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Each time a "next"_next.html command is used with the variable name,
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the next string ("2", "3", etc) is assigned. All processors assign
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the same string to the variable.
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For the {equal} style, a single string is specified which represents
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an equation that will be evaluated afresh each time the variable is
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|
@ -166,12 +174,10 @@ they are all finished. {Universe}-style variables are incremented
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using the files "tmp.lammps.variable" and "tmp.lammps.variable.lock"
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which you will see in your directory during such a LAMMPS run.
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If a variable command is encountered when the variable has already
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been defined, the command is ignored. Thss allows an input script
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with a variable command to be processed multiple times; see the
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"jump"_jump.html or "include"_include.html commands. It also means
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that the use of the command-line switch -var will override a
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corresponding variable setting in the input script.
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The {uloop} style is identical to the {universe} style except that the
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strings are the integers from 1 to N. This allows you to generate a
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long list of runs (e.g. 1000) without having to list N values in your
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input script.
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[Restrictions:]
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|
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