git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@208 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2006-12-19 16:44:20 +00:00
parent 5c22269d4e
commit e799670381
4 changed files with 76 additions and 64 deletions

View File

@ -33,8 +33,8 @@ to "z", it can be used in an input script command as $a or $z. If it
is multiple letters, it can be used as $<I>myTemp</I>.
</P>
<P>All variables in a single next command must be the same style:
<I>index</I>, <I>loop</I>, or <I>universe</I>. <I>Equal</I>- or <I>world</I>-style variables
cannot be incremented by a next command.
<I>index</I>, <I>loop</I>, <I>universe</I>, or <I>uloop</I>. <I>Equal</I>- or <I>world</I>-style
variables cannot be incremented by a next command.
</P>
<P>When any of the variables in the next command has no more values, a
flag is set that causes the input script to skip the next
@ -43,15 +43,15 @@ a next command to exit.
</P>
<P>When the next command is used with <I>index</I>- or <I>loop</I>-style variables,
the next value is assigned to the variable for all processors. When
the next command is used with <I>universe</I>-style variables, the next
value is assigned to whichever processor partition executes the
command first. All processors in the partition are assigned the same
value. Running LAMMPS on multiple partitions of processors via the
"-partition" command-line switch is described in <A HREF = "Section_start.html#2_4">this
section</A> of the manual. <I>Universe</I>-style
variables are incremented using the files "tmp.lammps.variable" and
"tmp.lammps.variable.lock" which you will see in your directory during
such a LAMMPS run.
the next command is used with <I>universe</I>- or <I>uloop</I>-style variables,
the next value is assigned to whichever processor partition executes
the command first. All processors in the partition are assigned the
same value. Running LAMMPS on multiple partitions of processors via
the "-partition" command-line switch is described in <A HREF = "Section_start.html#2_4">this
section</A> of the manual. <I>Universe</I>- and
<I>uloop</I>-style variables are incremented using the files
"tmp.lammps.variable" and "tmp.lammps.variable.lock" which you will
see in your directory during such a LAMMPS run.
</P>
<P>Here is an example of running a series of simulations using the next
command with an <I>index</I>-style variable. If this input script is named

View File

@ -30,8 +30,8 @@ to "z", it can be used in an input script command as $a or $z. If it
is multiple letters, it can be used as ${myTemp}.
All variables in a single next command must be the same style:
{index}, {loop}, or {universe}. {Equal}- or {world}-style variables
cannot be incremented by a next command.
{index}, {loop}, {universe}, or {uloop}. {Equal}- or {world}-style
variables cannot be incremented by a next command.
When any of the variables in the next command has no more values, a
flag is set that causes the input script to skip the next
@ -40,15 +40,15 @@ a next command to exit.
When the next command is used with {index}- or {loop}-style variables,
the next value is assigned to the variable for all processors. When
the next command is used with {universe}-style variables, the next
value is assigned to whichever processor partition executes the
command first. All processors in the partition are assigned the same
value. Running LAMMPS on multiple partitions of processors via the
"-partition" command-line switch is described in "this
section"_Section_start.html#2_4 of the manual. {Universe}-style
variables are incremented using the files "tmp.lammps.variable" and
"tmp.lammps.variable.lock" which you will see in your directory during
such a LAMMPS run.
the next command is used with {universe}- or {uloop}-style variables,
the next value is assigned to whichever processor partition executes
the command first. All processors in the partition are assigned the
same value. Running LAMMPS on multiple partitions of processors via
the "-partition" command-line switch is described in "this
section"_Section_start.html#2_4 of the manual. {Universe}- and
{uloop}-style variables are incremented using the files
"tmp.lammps.variable" and "tmp.lammps.variable.lock" which you will
see in your directory during such a LAMMPS run.
Here is an example of running a series of simulations using the next
command with an {index}-style variable. If this input script is named

View File

@ -30,7 +30,8 @@
fx[1], fy[2005], fz[1]
keywords = same keywords (mostly) as in <A HREF = "thermo_style.html">thermo_style custom</A> command
<I>world</I> args = one string for each partition of processors
<I>universe</I> args = one or more strings
<I>universe</I> args = one or more strings
<I>uloop</I> args = N = integer size of loop
</PRE>
</UL>
@ -42,7 +43,8 @@ variable beta equal div(temp,3.0)
variable b1 equal add(x[234],mult(0.5,lx))
variable b equal xcm(mol1,x)
variable temp world 300.0 310.0 320.0 330.0
variable x universe 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15
variable x universe 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15
variable x uloop 15
</PRE>
<P><B>Description:</B>
</P>
@ -56,8 +58,8 @@ variable's value. The variable name can be referenced in the input
script as $x if the name "x" is a single character, or as ${LoopVar}
if the name "LoopVar" is one or more characters.
</P>
<P>As described below, for variable styles <I>index</I>, <I>loop</I>, and
<I>universe</I>, the value assigned to a variable can be incremented via
<P>As described below, for variable styles <I>index</I>, <I>loop</I>, <I>universe</I>,
and <I>uloop</I>, the value assigned to a variable can be incremented via
the <A HREF = "next.html">next</A> command. When there are no more values to
assign, the variable is "exhausted" and a flag is set that causes the
next <A HREF = "jump.html">jump</A> command encountered in the input script to be
@ -65,13 +67,17 @@ skipped. This enables the construction of simple loops in the input
script that are iterated over and exited from.
</P>
<P>When a variable command is encountered for a variable that has already
been specified, the command is skipped. This is the case for all
variable styles except <I>equal</I>, so that <I>equal</I>-style variable names
can be re-used and re-defined anytime. Skipping allows you to loop
over the same input script many times without re-defining your
variables. When a variable is exhausted via the <A HREF = "next.html">next</A>
command, it is then available to be re-defined in a subsequent
variable command.
been specified, the command is ignored. This allows an input script
with a variable command to be processed multiple times; see the
<A HREF = "jump.html">jump</A> or <A HREF = "include.html">include</A> commands. It also means
that the use of the command-line switch -var will override a
corresponding variable setting in the input script.
</P>
<P>There are two exceptions to this rule. The first is for <I>equal</I> style
variables. They are re-defined each time a variable command using an
equal-style variable is encountered. Also, if a variable is iterated
on to the end of its list via the <A HREF = "next.html">next</A> command, it is
available to be re-defined in a subsequent variable command.
</P>
<P>For the <I>index</I> style, one or more strings are specified. Initially,
the 1st string is assigned to the variable. Each time a
@ -82,10 +88,12 @@ value) by using the command-line switch -var; see <A HREF = "Section_start.html#
section</A> for details.
</P>
<P>The <I>loop</I> style is identical to the <I>index</I> style except that the
strings are the integers from 1 to N. Initially, the string "1" is
assigned to the variable. Each time a <A HREF = "next.html">next</A> command is
used with the variable name, the next string ("2", "3", etc) is
assigned. All processors assign the same string to the variable.
strings are the integers from 1 to N. This allows you to generate a
long list of runs (e.g. 1000) without having to list N values in your
input script. Initially, the string "1" is assigned to the variable.
Each time a <A HREF = "next.html">next</A> command is used with the variable name,
the next string ("2", "3", etc) is assigned. All processors assign
the same string to the variable.
</P>
<P>For the <I>equal</I> style, a single string is specified which represents
an equation that will be evaluated afresh each time the variable is
@ -166,12 +174,10 @@ they are all finished. <I>Universe</I>-style variables are incremented
using the files "tmp.lammps.variable" and "tmp.lammps.variable.lock"
which you will see in your directory during such a LAMMPS run.
</P>
<P>If a variable command is encountered when the variable has already
been defined, the command is ignored. Thss allows an input script
with a variable command to be processed multiple times; see the
<A HREF = "jump.html">jump</A> or <A HREF = "include.html">include</A> commands. It also means
that the use of the command-line switch -var will override a
corresponding variable setting in the input script.
<P>The <I>uloop</I> style is identical to the <I>universe</I> style except that the
strings are the integers from 1 to N. This allows you to generate a
long list of runs (e.g. 1000) without having to list N values in your
input script.
</P>
<P><B>Restrictions:</B>
</P>

View File

@ -25,7 +25,8 @@ style = {index} or {loop} or {equal} or {world} or {universe} :l
fx\[1\], fy\[2005\], fz\[1\]
keywords = same keywords (mostly) as in "thermo_style custom"_thermo_style.html command
{world} args = one string for each partition of processors
{universe} args = one or more strings :pre
{universe} args = one or more strings
{uloop} args = N = integer size of loop :pre
:ule
[Examples:]
@ -36,7 +37,8 @@ variable beta equal div(temp,3.0)
variable b1 equal add(x\[234\],mult(0.5,lx))
variable b equal xcm(mol1,x)
variable temp world 300.0 310.0 320.0 330.0
variable x universe 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 :pre
variable x universe 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15
variable x uloop 15 :pre
[Description:]
@ -50,8 +52,8 @@ variable's value. The variable name can be referenced in the input
script as $x if 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}, and
{universe}, the value assigned to a variable can be incremented via
As described below, for variable styles {index}, {loop}, {universe},
and {uloop}, the value assigned to a variable can be incremented via
the "next"_next.html command. When there are no more values 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
@ -59,13 +61,17 @@ skipped. This enables the construction of simple loops in the input
script that are iterated over and exited from.
When a variable command is encountered for a variable that has already
been specified, the command is skipped. This is the case for all
variable styles except {equal}, so that {equal}-style variable names
can be re-used and re-defined anytime. Skipping allows you to loop
over the same input script many times without re-defining your
variables. When a variable is exhausted via the "next"_next.html
command, it is then available to be re-defined in a subsequent
variable command.
been specified, the command is ignored. This allows an input script
with a variable command to be processed multiple times; see the
"jump"_jump.html or "include"_include.html commands. It also means
that the use of the command-line switch -var will override a
corresponding variable setting in the input script.
There are two exceptions to this rule. The first is for {equal} style
variables. They are re-defined each time a variable command using an
equal-style variable is encountered. Also, if a variable is iterated
on to the end of its list via the "next"_next.html command, it is
available to be re-defined in a subsequent variable command.
For the {index} style, one or more strings are specified. Initially,
the 1st string is assigned to the variable. Each time a
@ -76,10 +82,12 @@ value) by using the command-line switch -var; see "this
section"_Section_start.html#2_4 for details.
The {loop} style is identical to the {index} style except that the
strings are the integers from 1 to N. Initially, the string "1" is
assigned to the variable. Each time a "next"_next.html command is
used with the variable name, the next string ("2", "3", etc) is
assigned. All processors assign the same string to the variable.
strings are the integers from 1 to N. This allows you to generate a
long list of runs (e.g. 1000) without having to list N values in your
input script. Initially, the string "1" is assigned to the variable.
Each time a "next"_next.html command is used with the variable name,
the next string ("2", "3", etc) is assigned. All processors assign
the same string to the variable.
For the {equal} style, a single string is specified which represents
an equation that will be evaluated afresh each time the variable is
@ -166,12 +174,10 @@ they are all finished. {Universe}-style variables are incremented
using the files "tmp.lammps.variable" and "tmp.lammps.variable.lock"
which you will see in your directory during such a LAMMPS run.
If a variable command is encountered when the variable has already
been defined, the command is ignored. Thss allows an input script
with a variable command to be processed multiple times; see the
"jump"_jump.html or "include"_include.html commands. It also means
that the use of the command-line switch -var will override a
corresponding variable setting in the input script.
The {uloop} style is identical to the {universe} style except that the
strings are the integers from 1 to N. This allows you to generate a
long list of runs (e.g. 1000) without having to list N values in your
input script.
[Restrictions:]