git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10909 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2013-10-30 15:57:57 +00:00
parent 0fa3867f34
commit 9c0fc4ba8d
4 changed files with 54 additions and 14 deletions

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@ -15,7 +15,7 @@
</P>
<PRE>shell cmd args
</PRE>
<UL><LI>cmd = <I>cd</I> or <I>mkdir</I> or <I>mv</I> or <I>rm</I> or <I>rmdir</I> or arbitrary command
<UL><LI>cmd = <I>cd</I> or <I>mkdir</I> or <I>mv</I> or <I>rm</I> or <I>rmdir</I> or <I>putenv</I> or arbitrary command
<PRE> <I>cd</I> arg = dir
dir = directory to change to
@ -28,6 +28,8 @@
file1,file2 = one or more filenames to delete
<I>rmdir</I> args = dir1 dir2 ...
dir1,dir2 = one or more directories to delete
<I>putenv</I> args = var1=value1 var2=value2
var=value = one of more definitions of environment variables
anything else is passed as a command to the shell for direct execution
</PRE>
@ -40,6 +42,7 @@ shell mkdir tmp1 tmp2 tmp3
shell rmdir tmp1
shell mv log.lammps hold/log.1
shell rm TMP/file1 TMP/file2
shell putenv LAMMPS_POTENTIALS=../../potentials
shell my_setup file1 10 file2
shell my_post_process 100 dump.out
</PRE>
@ -77,6 +80,12 @@ files.
more directories. A directory must be empty to be successfully
removed.
</P>
<P>The <I>putenv</I> cmd defines or updates an environment variable directly.
Since this command does not pass through the shell, no shell variable
expansion or globbing is performed, only the usual substitution for
LAMMPS variables defined with the <A HREF = "variable.html">variable</A> command is
performed. The resulting string is then used literally.
</P>
<P>Any other cmd is passed as-is to the shell along with its arguments as
one string, invoked by the C-library system() call. For example,
these lines in your input script:

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@ -12,7 +12,7 @@ shell command :h3
shell cmd args :pre
cmd = {cd} or {mkdir} or {mv} or {rm} or {rmdir} or arbitrary command :ulb,l
cmd = {cd} or {mkdir} or {mv} or {rm} or {rmdir} or {putenv} or arbitrary command :ulb,l
{cd} arg = dir
dir = directory to change to
{mkdir} args = dir1 dir2 ...
@ -24,6 +24,8 @@ cmd = {cd} or {mkdir} or {mv} or {rm} or {rmdir} or arbitrary command :ulb,l
file1,file2 = one or more filenames to delete
{rmdir} args = dir1 dir2 ...
dir1,dir2 = one or more directories to delete
{putenv} args = var1=value1 var2=value2
var=value = one of more definitions of environment variables
anything else is passed as a command to the shell for direct execution :pre
:ule
@ -35,6 +37,7 @@ shell mkdir tmp1 tmp2 tmp3
shell rmdir tmp1
shell mv log.lammps hold/log.1
shell rm TMP/file1 TMP/file2
shell putenv LAMMPS_POTENTIALS=../../potentials
shell my_setup file1 10 file2
shell my_post_process 100 dump.out :pre
@ -72,6 +75,12 @@ The {rmdir} cmd executes the Unix "rmdir" command to remove one or
more directories. A directory must be empty to be successfully
removed.
The {putenv} cmd defines or updates an environment variable directly.
Since this command does not pass through the shell, no shell variable
expansion or globbing is performed, only the usual substitution for
LAMMPS variables defined with the "variable"_variable.html command is
performed. The resulting string is then used literally.
Any other cmd is passed as-is to the shell along with its arguments as
one string, invoked by the C-library system() call. For example,
these lines in your input script:

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@ -17,7 +17,7 @@
</PRE>
<UL><LI>name = name of variable to define
<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>file</I> or <I>atomfile</I> or <I>equal</I> or <I>atom</I>
<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>getenv</I> or <I>file</I> or <I>atomfile</I> or <I>equal</I> or <I>atom</I>
<PRE> <I>delete</I> = no args
<I>index</I> args = one or more strings
@ -39,6 +39,7 @@
N = integer size of loop
pad = all values will be same length, e.g. 001, 002, ..., 100
<I>string</I> arg = one string
<I>getenv</I> arg = one string
<I>file</I> arg = filename
<I>atomfile</I> arg = filename
<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
@ -139,11 +140,11 @@ means that using the <A HREF = "Section_start.html#start_7">command-line switch<
script.
</P>
<P>There are two exceptions to this rule. First, variables of style
<I>string</I> and <I>equal</I> and <I>atom</I> ARE redefined each time the command is
encountered. This allows these style of variables to be redefined
multiple times in an input script. In a loop, this means the formula
associated with an <I>equal</I> or <I>atom</I> style variable can change if it
contains a substitution for another variable, e.g. $x.
<I>string</I>, <I>getenv</I>, <I>equal</I> and <I>atom</I> ARE redefined each time the
command is encountered. This allows these style of variables to be
redefined multiple times in an input script. In a loop, this means
the formula associated with an <I>equal</I> or <I>atom</I> style variable can
change if it contains a substitution for another variable, e.g. $x.
</P>
<P>Second, as described below, if a variable is iterated on to the end of
its list of strings via the <A HREF = "next.html">next</A> command, it is removed
@ -246,6 +247,16 @@ single string is that a variable with <I>string</I> style can be redefined.
E.g. by another command later in the input script, or if the script is
read again in a loop.
</P>
<P>For the <I>getenv</I> style, a single string is assigned to the variable
which should be the name of an environment variable. When the
variable is evaluated, it returns the value of the environment
variable, or an empty string if it not defined. This style of
variable can be used to adapt the behavior of LAMMPS input scripts via
environment variable settings, or to retrieve information that has
been previously stored with the <A HREF = "shell.html">shell putenv</A> command.
Note that because environment variable settings are stored by the
operating systems, they persist beyond a <A HREF = "clear.html">clear</A> command.
</P>
<P>For the <I>file</I> style, a filename is provided which contains a list of
strings to assign to the variable, one per line. The strings can be
numeric values if desired. See the discussion of the next() function

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@ -13,7 +13,7 @@ variable command :h3
variable name style args ... :pre
name = name of variable to define :ulb,l
style = {delete} or {index} or {loop} or {world} or {universe} or {uloop} or {string} or {file} or {atomfile} or {equal} or {atom} :l
style = {delete} or {index} or {loop} or {world} or {universe} or {uloop} or {string} or {getenv} or {file} or {atomfile} or {equal} or {atom} :l
{delete} = no args
{index} args = one or more strings
{loop} args = N
@ -34,6 +34,7 @@ style = {delete} or {index} or {loop} or {world} or {universe} or {uloop} or {st
N = integer size of loop
pad = all values will be same length, e.g. 001, 002, ..., 100
{string} arg = one string
{getenv} arg = one string
{file} arg = filename
{atomfile} arg = filename
{equal} or {atom} args = one formula containing numbers, thermo keywords, math operations, group functions, atom values and vectors, compute/fix/variable references
@ -133,11 +134,11 @@ means that using the "command-line switch"_Section_start.html#start_7
script.
There are two exceptions to this rule. First, variables of style
{string} and {equal} and {atom} ARE redefined each time the command is
encountered. This allows these style of variables to be redefined
multiple times in an input script. In a loop, this means the formula
associated with an {equal} or {atom} style variable can change if it
contains a substitution for another variable, e.g. $x.
{string}, {getenv}, {equal} and {atom} ARE redefined each time the
command is encountered. This allows these style of variables to be
redefined multiple times in an input script. In a loop, this means
the formula associated with an {equal} or {atom} style variable can
change if it contains a substitution for another variable, e.g. $x.
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
@ -240,6 +241,16 @@ single string is that a variable with {string} style can be redefined.
E.g. by another command later in the input script, or if the script is
read again in a loop.
For the {getenv} style, a single string is assigned to the variable
which should be the name of an environment variable. When the
variable is evaluated, it returns the value of the environment
variable, or an empty string if it not defined. This style of
variable can be used to adapt the behavior of LAMMPS input scripts via
environment variable settings, or to retrieve information that has
been previously stored with the "shell putenv"_shell.html command.
Note that because environment variable settings are stored by the
operating systems, they persist beyond a "clear"_clear.html command.
For the {file} style, a filename is provided which contains a list of
strings to assign to the variable, one per line. The strings can be
numeric values if desired. See the discussion of the next() function